BAS 00865958
TL;DR: BAS 00865958 (CAS 332050-96-1) is a chemical compound with molecular formula C20H12N2O2S2 and molecular weight 376.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(3-methylthiophen-2-yl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: BAS 00865958, AB00086912-01, F0192-0003, (2Z)-3-(3-methylthiophen-2-yl)-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, (Z)-3-(3-methylthiophen-2-yl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile
| Molecular Formula | C20H12N2O2S2 |
|---|---|
| Molecular Weight | 376.03 g/mol |
| LogP | 5.3506 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.03403 |
| Heavy Atoms | 26 |
| Complexity | 1238.4154 |
Chemical Identifiers
| CAS Number | 332050-96-1 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=C(/C#N)\C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O |
Product Overview
BAS 00865958 (CAS 332050-96-1), with molecular formula C20H12N2O2S2 and molecular weight 376.03 g/mol. IUPAC: (Z)-3-(3-methylthiophen-2-yl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of BAS 00865958
Property Insights of BAS 00865958
The XLogP value of 5.3506 indicates that BAS 00865958 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865958. Following Lipinski's Rule of Five, BAS 00865958 has 0 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 00865958?
The CAS number of BAS 00865958 is 332050-96-1.
What is the molecular formula of BAS 00865958?
The molecular formula of BAS 00865958 is C20H12N2O2S2.
What is the molecular weight of BAS 00865958?
The molecular weight of BAS 00865958 is 376.03 g/mol.
Where can I buy BAS 00865958?
You can request a quote for BAS 00865958 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865958?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865958 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.