BAS 09587911
TL;DR: BAS 09587911 (CAS 1005107-88-9) is a chemical compound with molecular formula C23H22N2O5 and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(1,3-benzodioxol-5-yl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
Also Known As: BAS 09587911, A3157/0133540, methyl 11-(1,3-benzodioxol-5-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate, methyl 11-(benzo[d][1,3]dioxol-5-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate, methyl 6-(1,3-benzodioxol-5-yl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
| Molecular Formula | C23H22N2O5 |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 3.6462 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.15286 |
| Heavy Atoms | 30 |
| Complexity | 1077.0132 |
Chemical Identifiers
| CAS Number | 1005107-88-9 |
|---|---|
| SMILES | CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=O)C1C(=O)OC |
Product Overview
BAS 09587911 (CAS 1005107-88-9), with molecular formula C23H22N2O5 and molecular weight 406.15 g/mol. IUPAC: methyl 6-(1,3-benzodioxol-5-yl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate.
Chemical Property Profile of BAS 09587911
Property Insights of BAS 09587911
The XLogP value of 3.6462 indicates that BAS 09587911 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 BAS 09587911. Following Lipinski's Rule of Five, BAS 09587911 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 BAS 09587911?
The CAS number of BAS 09587911 is 1005107-88-9.
What is the molecular formula of BAS 09587911?
The molecular formula of BAS 09587911 is C23H22N2O5.
What is the molecular weight of BAS 09587911?
The molecular weight of BAS 09587911 is 406.15 g/mol.
Where can I buy BAS 09587911?
You can request a quote for BAS 09587911 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09587911?
Yes, KEHONG BIO provides custom synthesis services for BAS 09587911 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.