A3682/0156189
TL;DR: A3682/0156189 (CAS 1005131-12-3) is a chemical compound with molecular formula C26H30N2O5 and molecular weight 450.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(3-methoxy-2-propan-2-yloxyphenyl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
Also Known As: A3682/0156189, METHYL 11-(2-ISOPROPOXY-3-METHOXYPHENYL)-3-METHYL-1-OXO-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPINE-2-CARBOXYLATE, methyl 11-[3-methoxy-2-(propan-2-yloxy)phenyl]-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate, methyl 6-(3-methoxy-2-propan-2-yloxyphenyl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
| Molecular Formula | C26H30N2O5 |
|---|---|
| Molecular Weight | 450.22 g/mol |
| LogP | 4.7133 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.21548 |
| Heavy Atoms | 33 |
| Complexity | 1107.6111 |
Chemical Identifiers
| CAS Number | 1005131-12-3 |
|---|---|
| SMILES | CC1CC2=C(C(NC3=CC=CC=C3N2)C4=C(C(=CC=C4)OC)OC(C)C)C(=O)C1C(=O)OC |
Product Overview
A3682/0156189 (CAS 1005131-12-3), with molecular formula C26H30N2O5 and molecular weight 450.22 g/mol. IUPAC: methyl 6-(3-methoxy-2-propan-2-yloxyphenyl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate.
Chemical Property Profile of A3682/0156189
Property Insights of A3682/0156189
The XLogP value of 4.7133 indicates that A3682/0156189 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for A3682/0156189. Following Lipinski's Rule of Five, A3682/0156189 has 2 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 A3682/0156189?
The CAS number of A3682/0156189 is 1005131-12-3.
What is the molecular formula of A3682/0156189?
The molecular formula of A3682/0156189 is C26H30N2O5.
What is the molecular weight of A3682/0156189?
The molecular weight of A3682/0156189 is 450.22 g/mol.
Where can I buy A3682/0156189?
You can request a quote for A3682/0156189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3682/0156189?
Yes, KEHONG BIO provides custom synthesis services for A3682/0156189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.