BAS 09588713
TL;DR: BAS 09588713 (CAS 1005108-22-4) is a chemical compound with molecular formula C25H28N2O4 and molecular weight 420.20 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-propan-2-yloxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
Also Known As: BAS 09588713, A3242/0137700, METHYL 11-(2-ISOPROPOXYPHENYL)-3-METHYL-1-OXO-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPINE-2-CARBOXYLATE, methyl 3-methyl-1-oxo-11-[2-(propan-2-yloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate, methyl 9-methyl-7-oxo-6-(2-propan-2-yloxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
| Molecular Formula | C25H28N2O4 |
|---|---|
| Molecular Weight | 420.20 g/mol |
| LogP | 4.7047 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.2049 |
| Heavy Atoms | 31 |
| Complexity | 1043.3224 |
Chemical Identifiers
| CAS Number | 1005108-22-4 |
|---|---|
| SMILES | CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=C4OC(C)C)C(=O)C1C(=O)OC |
Product Overview
BAS 09588713 (CAS 1005108-22-4), with molecular formula C25H28N2O4 and molecular weight 420.20 g/mol. IUPAC: methyl 9-methyl-7-oxo-6-(2-propan-2-yloxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate.
Chemical Property Profile of BAS 09588713
Property Insights of BAS 09588713
The XLogP value of 4.7047 indicates that BAS 09588713 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09588713. Following Lipinski's Rule of Five, BAS 09588713 has 2 hydrogen bond donor(s) and 6 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 BAS 09588713?
The CAS number of BAS 09588713 is 1005108-22-4.
What is the molecular formula of BAS 09588713?
The molecular formula of BAS 09588713 is C25H28N2O4.
What is the molecular weight of BAS 09588713?
The molecular weight of BAS 09588713 is 420.20 g/mol.
Where can I buy BAS 09588713?
You can request a quote for BAS 09588713 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09588713?
Yes, KEHONG BIO provides custom synthesis services for BAS 09588713 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.