![3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate structure](/static/products/885/885193-50-0.webp)
3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate
TL;DR: 3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate (CAS 885193-50-0) is a chemical compound with molecular formula C22H17ClN4O2 and molecular weight 404.104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[5-(3-chloro-4-methylphenyl)-8-methyl-5,7,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),3,7,10,12,14-heptaen-3-yl] acetate
Also Known As: 3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate, 3-(3-chloro-4-methylphenyl)-5-methyl-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl acetate
Technical Specifications
| Molecular Formula | C22H17ClN4O2 |
| Molecular Weight | 404.104 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 61.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.104 Da |
| Heavy Atoms | 29 |
| Complexity | 636.0 |
| SMILES | CC1=C(C=C(C=C1)N2C=C(C3=C2N=C(N4C3=NC5=CC=CC=C54)C)OC(=O)C)Cl |
| InChIKey | QDXMZKNNGGXQSD-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate
Property Insights of 3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate
The XLogP value of 5.8 indicates that 3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate. Following Lipinski's Rule of Five, 3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate?
The CAS number of 3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate is 885193-50-0.
What is the molecular formula of 3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate?
The molecular formula of 3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate is C22H17ClN4O2.
What is the molecular weight of 3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate?
The molecular weight of 3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate is 404.104 g/mol.
Where can I buy 3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate?
You can request a quote for 3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate?
Yes, CoreyChem provides custom synthesis services for 3-(3-chloro-4-methylphenyl)-5-methyl-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.