A3224/0136831
TL;DR: A3224/0136831 (CAS 1005108-59-7) is a chemical compound with molecular formula C25H28N2O6 and molecular weight 452.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9-methyl-7-oxo-6-(2,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
Also Known As: A3224/0136831, methyl 3-methyl-1-oxo-11-(2,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate, methyl 9-methyl-7-oxo-6-(2,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
| Molecular Formula | C25H28N2O6 |
|---|---|
| Molecular Weight | 452.19 g/mol |
| LogP | 3.9433 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.19473 |
| Heavy Atoms | 33 |
| Complexity | 1125.8754 |
Chemical Identifiers
| CAS Number | 1005108-59-7 |
|---|---|
| SMILES | CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C=C4OC)OC)OC)C(=O)C1C(=O)OC |
Product Overview
A3224/0136831 (CAS 1005108-59-7), with molecular formula C25H28N2O6 and molecular weight 452.19 g/mol. IUPAC: methyl 9-methyl-7-oxo-6-(2,4,5-trimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate.
Chemical Property Profile of A3224/0136831
Property Insights of A3224/0136831
The XLogP value of 3.9433 indicates that A3224/0136831 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.12 Ų falls within the moderate polarity range, balancing permeability and solubility for A3224/0136831. Following Lipinski's Rule of Five, A3224/0136831 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3224/0136831?
The CAS number of A3224/0136831 is 1005108-59-7.
What is the molecular formula of A3224/0136831?
The molecular formula of A3224/0136831 is C25H28N2O6.
What is the molecular weight of A3224/0136831?
The molecular weight of A3224/0136831 is 452.19 g/mol.
Where can I buy A3224/0136831?
You can request a quote for A3224/0136831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3224/0136831?
Yes, KEHONG BIO provides custom synthesis services for A3224/0136831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.