BAS 04379739
TL;DR: BAS 04379739 (CAS 433697-03-1) is a chemical compound with molecular formula C23H19ClN2OS and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-chlorophenyl)-9-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 04379739, A2848/0120215, 11-(2-chlorophenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 6-(2-chlorophenyl)-9-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 10-(2-chlorophenyl)-14-(thiophen-2-yl)-2,9-diazatricyclo[9.4.0.0(3),?]pentadeca-1(11),3(8),4,6-tetraen-12-one
| Molecular Formula | C23H19ClN2OS |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 6.381 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.09067 |
| Heavy Atoms | 28 |
| Complexity | 1073.7211 |
Chemical Identifiers
| CAS Number | 433697-03-1 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=CC=CC=C3NC2C4=CC=CC=C4Cl)C5=CC=CS5 |
Product Overview
BAS 04379739 (CAS 433697-03-1), with molecular formula C23H19ClN2OS and molecular weight 406.09 g/mol. IUPAC: 6-(2-chlorophenyl)-9-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 04379739
Property Insights of BAS 04379739
The XLogP value of 6.381 indicates that BAS 04379739 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, BAS 04379739 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04379739 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 04379739?
The CAS number of BAS 04379739 is 433697-03-1.
What is the molecular formula of BAS 04379739?
The molecular formula of BAS 04379739 is C23H19ClN2OS.
What is the molecular weight of BAS 04379739?
The molecular weight of BAS 04379739 is 406.09 g/mol.
Where can I buy BAS 04379739?
You can request a quote for BAS 04379739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04379739?
Yes, KEHONG BIO provides custom synthesis services for BAS 04379739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.