A3225/0136864
TL;DR: A3225/0136864 (CAS 1005266-61-4) is a chemical compound with molecular formula C23H23BrN2O5 and molecular weight 486.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
Also Known As: A3225/0136864, methyl 11-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate, methyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
| Molecular Formula | C23H23BrN2O5 |
|---|---|
| Molecular Weight | 486.08 g/mol |
| LogP | 4.3942 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 486.07904 |
| Heavy Atoms | 31 |
| Complexity | 1097.3696 |
Chemical Identifiers
| CAS Number | 1005266-61-4 |
|---|---|
| SMILES | CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C(=C4)Br)O)OC)C(=O)C1C(=O)OC |
Product Overview
A3225/0136864 (CAS 1005266-61-4), with molecular formula C23H23BrN2O5 and molecular weight 486.08 g/mol. IUPAC: methyl 6-(3-bromo-4-hydroxy-5-methoxyphenyl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate.
Chemical Property Profile of A3225/0136864
Property Insights of A3225/0136864
The XLogP value of 4.3942 indicates that A3225/0136864 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for A3225/0136864. Following Lipinski's Rule of Five, A3225/0136864 has 3 hydrogen bond donor(s) and 7 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 A3225/0136864?
The CAS number of A3225/0136864 is 1005266-61-4.
What is the molecular formula of A3225/0136864?
The molecular formula of A3225/0136864 is C23H23BrN2O5.
What is the molecular weight of A3225/0136864?
The molecular weight of A3225/0136864 is 486.08 g/mol.
Where can I buy A3225/0136864?
You can request a quote for A3225/0136864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3225/0136864?
Yes, KEHONG BIO provides custom synthesis services for A3225/0136864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.