BAS 09588137
TL;DR: BAS 09588137 (CAS 524002-01-5) is a chemical compound with molecular formula C27H24N2O4 and molecular weight 440.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-yl)-9-(3-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 09588137, 11-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, AE-848/42025520, A3161/0133753, 6-(1,3-benzodioxol-5-yl)-9-(3-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C27H24N2O4 |
|---|---|
| Molecular Weight | 440.17 g/mol |
| LogP | 5.4034 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.1736 |
| Heavy Atoms | 33 |
| Complexity | 1282.6179 |
Chemical Identifiers
| CAS Number | 524002-01-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6)C(=O)C2 |
Product Overview
BAS 09588137 (CAS 524002-01-5), with molecular formula C27H24N2O4 and molecular weight 440.17 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-9-(3-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 09588137
Property Insights of BAS 09588137
The XLogP value of 5.4034 indicates that BAS 09588137 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09588137. Following Lipinski's Rule of Five, BAS 09588137 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 09588137?
The CAS number of BAS 09588137 is 524002-01-5.
What is the molecular formula of BAS 09588137?
The molecular formula of BAS 09588137 is C27H24N2O4.
What is the molecular weight of BAS 09588137?
The molecular weight of BAS 09588137 is 440.17 g/mol.
Where can I buy BAS 09588137?
You can request a quote for BAS 09588137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09588137?
Yes, KEHONG BIO provides custom synthesis services for BAS 09588137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.