BAS 02170155
TL;DR: BAS 02170155 (CAS 296899-86-0) is a chemical compound with molecular formula C27H24N2O3S and molecular weight 456.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(1,3-benzodioxol-5-yl)-6-(4-methylsulfanylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 02170155, BIM-0043815.P001, 9-(1,3-benzodioxol-5-yl)-6-(4-methylsulfanylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, A2254/0094966, 3-(1,3-benzodioxol-5-yl)-11-[4-(methylsulfanyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C27H24N2O3S |
|---|---|
| Molecular Weight | 456.15 g/mol |
| LogP | 6.1167 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.15076 |
| Heavy Atoms | 33 |
| Complexity | 1268.613 |
Chemical Identifiers
| CAS Number | 296899-86-0 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C6N2 |
Product Overview
BAS 02170155 (CAS 296899-86-0), with molecular formula C27H24N2O3S and molecular weight 456.15 g/mol. IUPAC: 9-(1,3-benzodioxol-5-yl)-6-(4-methylsulfanylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 02170155
Property Insights of BAS 02170155
The XLogP value of 6.1167 indicates that BAS 02170155 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, BAS 02170155 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02170155 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 02170155?
The CAS number of BAS 02170155 is 296899-86-0.
What is the molecular formula of BAS 02170155?
The molecular formula of BAS 02170155 is C27H24N2O3S.
What is the molecular weight of BAS 02170155?
The molecular weight of BAS 02170155 is 456.15 g/mol.
Where can I buy BAS 02170155?
You can request a quote for BAS 02170155 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02170155?
Yes, KEHONG BIO provides custom synthesis services for BAS 02170155 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.