BAS 04379816
TL;DR: BAS 04379816 (CAS 433699-33-3) 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.
6-(3-methoxyphenyl)-9-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: BAS 04379816, A3052/0128875, 6-(3-methoxyphenyl)-9-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one, 11-(3-METHOXYPHENYL)-3-(2-THIENYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 11-(3-methoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-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 | 1087.7748 |
Chemical Identifiers
| CAS Number | 433699-33-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CS4)NC5=CC=CC=C5N2 |
Product Overview
BAS 04379816 (CAS 433699-33-3), with molecular formula C24H22N2O2S and molecular weight 402.14 g/mol. IUPAC: 6-(3-methoxyphenyl)-9-thiophen-2-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of BAS 04379816
Property Insights of BAS 04379816
The XLogP value of 5.7362 indicates that BAS 04379816 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 04379816 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04379816 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 04379816?
The CAS number of BAS 04379816 is 433699-33-3.
What is the molecular formula of BAS 04379816?
The molecular formula of BAS 04379816 is C24H22N2O2S.
What is the molecular weight of BAS 04379816?
The molecular weight of BAS 04379816 is 402.14 g/mol.
Where can I buy BAS 04379816?
You can request a quote for BAS 04379816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04379816?
Yes, KEHONG BIO provides custom synthesis services for BAS 04379816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.