BAS 09588494
TL;DR: BAS 09588494 (CAS 1005060-30-9) is a chemical compound with molecular formula C22H20Cl2N2O3 and molecular weight 430.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(3,4-dichlorophenyl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
Also Known As: BAS 09588494, A3225/0136855, methyl 11-(3,4-dichlorophenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate, methyl 11-(3,4-dichlorophenyl)-3-methyl-1-oxo-2,3,4-trihydro-5H,10H,11H-benzo[ b]benzo[3,4-f]1,4-diazepine-2-carboxylate, methyl 6-(3,4-dichlorophenyl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate
| Molecular Formula | C22H20Cl2N2O3 |
|---|---|
| Molecular Weight | 430.09 g/mol |
| LogP | 5.2243 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 430.08508 |
| Heavy Atoms | 29 |
| Complexity | 1034.4675 |
Chemical Identifiers
| CAS Number | 1005060-30-9 |
|---|---|
| SMILES | CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC(=C(C=C4)Cl)Cl)C(=O)C1C(=O)OC |
Product Overview
BAS 09588494 (CAS 1005060-30-9), with molecular formula C22H20Cl2N2O3 and molecular weight 430.09 g/mol. IUPAC: methyl 6-(3,4-dichlorophenyl)-9-methyl-7-oxo-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepine-8-carboxylate.
Chemical Property Profile of BAS 09588494
Property Insights of BAS 09588494
The XLogP value of 5.2243 indicates that BAS 09588494 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09588494. Following Lipinski's Rule of Five, BAS 09588494 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 09588494?
The CAS number of BAS 09588494 is 1005060-30-9.
What is the molecular formula of BAS 09588494?
The molecular formula of BAS 09588494 is C22H20Cl2N2O3.
What is the molecular weight of BAS 09588494?
The molecular weight of BAS 09588494 is 430.09 g/mol.
Where can I buy BAS 09588494?
You can request a quote for BAS 09588494 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09588494?
Yes, KEHONG BIO provides custom synthesis services for BAS 09588494 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.