C29H21ClN2O5
TL;DR: C29H21ClN2O5 (CAS 1014088-36-8) is a chemical compound with molecular formula C29H21ClN2O5 and molecular weight 512.1139 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(10R,11S,15R,16S)-16-(4-chlorobenzoyl)-13-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
Also Known As: (6aR,6bS,9aR,10S)-10-(4-chlorobenzoyl)-8-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione, (6aR,6bS,9aR,10S)-10-[(4-chlorophenyl)carbonyl]-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Technical Specifications
| Molecular Formula | C29H21ClN2O5 |
| Molecular Weight | 512.1139 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 76.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 512.1139 Da |
| Heavy Atoms | 37 |
| Complexity | 979.0 |
| SMILES | C1COC2=C(O1)C=CC(=C2)N3C(=O)[C@@H]4[C@H]5C=CC6=CC=CC=C6N5[C@@H]([C@@H]4C3=O)C(=O)C7=CC=C(C=C7)Cl |
| InChIKey | QHXNCYVBQBGUKT-MYCYEZBNSA-N |
Chemical Property Profile of C29H21ClN2O5
Property Insights of C29H21ClN2O5
The XLogP value of 4.6 indicates that C29H21ClN2O5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H21ClN2O5. Following Lipinski's Rule of Five, C29H21ClN2O5 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C29H21ClN2O5?
The CAS number of C29H21ClN2O5 is 1014088-36-8.
What is the molecular formula of C29H21ClN2O5?
The molecular formula of C29H21ClN2O5 is C29H21ClN2O5.
What is the molecular weight of C29H21ClN2O5?
The molecular weight of C29H21ClN2O5 is 512.1139 g/mol.
Where can I buy C29H21ClN2O5?
You can request a quote for C29H21ClN2O5 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C29H21ClN2O5?
Yes, CoreyChem provides custom synthesis services for C29H21ClN2O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.