BAS 03539082
TL;DR: BAS 03539082 (CAS 488108-12-9) is a chemical compound with molecular formula C20H17N3OS2 and molecular weight 379.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(E)-1-cyano-2-(3-methylthiophen-2-yl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
Also Known As: BAS 03539082, (E)-N-(2-(1-cyano-2-(3-methylthiophen-2-yl)vinyl)-4-(p-tolyl)thiazol-5-yl)acetamide, N-[2-[1-cyano-2-(3-methyl-2-thienyl)vinyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide, N-[2-[(E)-1-cyano-2-(3-methylthiophen-2-yl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide, N-{2-[(E)-1-cyano-2-(3-methylthiophen-2-yl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl}acetamide
| Molecular Formula | C20H17N3OS2 |
|---|---|
| Molecular Weight | 379.08 g/mol |
| LogP | 5.51102 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.0813 |
| Heavy Atoms | 26 |
| Complexity | 1020.2562 |
Chemical Identifiers
| CAS Number | 488108-12-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(SC(=N2)/C(=C/C3=C(C=CS3)C)/C#N)NC(=O)C |
Product Overview
BAS 03539082 (CAS 488108-12-9), with molecular formula C20H17N3OS2 and molecular weight 379.08 g/mol. IUPAC: N-[2-[(E)-1-cyano-2-(3-methylthiophen-2-yl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.
Chemical Property Profile of BAS 03539082
Property Insights of BAS 03539082
The XLogP value of 5.51102 indicates that BAS 03539082 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03539082. Following Lipinski's Rule of Five, BAS 03539082 has 1 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 03539082?
The CAS number of BAS 03539082 is 488108-12-9.
What is the molecular formula of BAS 03539082?
The molecular formula of BAS 03539082 is C20H17N3OS2.
What is the molecular weight of BAS 03539082?
The molecular weight of BAS 03539082 is 379.08 g/mol.
Where can I buy BAS 03539082?
You can request a quote for BAS 03539082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03539082?
Yes, KEHONG BIO provides custom synthesis services for BAS 03539082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.