BAS 02170168
TL;DR: BAS 02170168 (CAS 296899-44-0) is a chemical compound with molecular formula C24H22N2O2S and molecular weight 402.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-methoxyphenyl)-6-thiophen-3-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 02170168, A2256/0095037, 3-(4-METHOXYPHENYL)-11-(3-THIENYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 9-(4-methoxyphenyl)-6-thiophen-3-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 14-(4-methoxyphenyl)-10-(thiophen-3-yl)-2,9-diazatricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7-tetraen-12-one
| Molecular Formula | C24H22N2O2S |
|---|---|
| Molecular Weight | 402.14 g/mol |
| LogP | 5.7362 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.1402 |
| Heavy Atoms | 29 |
| Complexity | 1070.5248 |
Chemical Identifiers
| CAS Number | 296899-44-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC3=C(C(NC4=CC=CC=C4N3)C5=CSC=C5)C(=O)C2 |
Product Overview
BAS 02170168 (CAS 296899-44-0), with molecular formula C24H22N2O2S and molecular weight 402.14 g/mol. IUPAC: 9-(4-methoxyphenyl)-6-thiophen-3-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 02170168
Property Insights of BAS 02170168
The XLogP value of 5.7362 indicates that BAS 02170168 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, BAS 02170168 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02170168 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 02170168?
The CAS number of BAS 02170168 is 296899-44-0.
What is the molecular formula of BAS 02170168?
The molecular formula of BAS 02170168 is C24H22N2O2S.
What is the molecular weight of BAS 02170168?
The molecular weight of BAS 02170168 is 402.14 g/mol.
Where can I buy BAS 02170168?
You can request a quote for BAS 02170168 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02170168?
Yes, KEHONG BIO provides custom synthesis services for BAS 02170168 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.