D043-0110
TL;DR: D043-0110 (CAS 879472-58-9) is a chemical compound with molecular formula C20H18ClN5O and molecular weight 379.12 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-benzyl-2-[(4-chlorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: D043-0110, 6-benzyl-2-((4-chlorobenzyl)amino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 6-benzyl-2-[(4-chlorobenzyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one, 6-benzyl-2-[(4-chlorophenyl)methylamino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 6-BENZYL-2-{[(4-CHLOROPHENYL)METHYL]AMINO}-5-METHYL-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-ONE
Technical Specifications
| Molecular Formula | C20H18ClN5O |
| Molecular Weight | 379.12 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 69.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.12 Da |
| Heavy Atoms | 27 |
| Complexity | 672.0 |
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=CC=C(C=C3)Cl)CC4=CC=CC=C4 |
| InChIKey | PUPVNKBNWWGHOF-UHFFFAOYSA-N |
Chemical Property Profile of D043-0110
Property Insights of D043-0110
The XLogP value of 3.4 indicates that D043-0110 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for D043-0110. Following Lipinski's Rule of Five, D043-0110 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of D043-0110?
The CAS number of D043-0110 is 879472-58-9.
What is the molecular formula of D043-0110?
The molecular formula of D043-0110 is C20H18ClN5O.
What is the molecular weight of D043-0110?
The molecular weight of D043-0110 is 379.12 g/mol.
Where can I buy D043-0110?
You can request a quote for D043-0110 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for D043-0110?
Yes, CoreyChem provides custom synthesis services for D043-0110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.