BAS 03539089
TL;DR: BAS 03539089 (CAS 498537-87-4) is a chemical compound with molecular formula C23H21N3O3S and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(E)-1-cyano-2-(2,3-dimethoxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
Also Known As: BAS 03539089, (E)-N-(2-(1-cyano-2-(2,3-dimethoxyphenyl)vinyl)-4-(p-tolyl)thiazol-5-yl)acetamide, N-[2-[(E)-1-cyano-2-(2,3-dimethoxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide, N-{2-[(E)-1-cyano-2-(2,3-dimethoxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl}acetamide
| Molecular Formula | C23H21N3O3S |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 5.1583 |
| Topological Polar Surface Area | 84.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.13037 |
| Heavy Atoms | 30 |
| Complexity | 1141.4902 |
Chemical Identifiers
| CAS Number | 498537-87-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=C(SC(=N2)/C(=C/C3=C(C(=CC=C3)OC)OC)/C#N)NC(=O)C |
Product Overview
BAS 03539089 (CAS 498537-87-4), with molecular formula C23H21N3O3S and molecular weight 419.13 g/mol. IUPAC: N-[2-[(E)-1-cyano-2-(2,3-dimethoxyphenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.
Chemical Property Profile of BAS 03539089
Property Insights of BAS 03539089
The XLogP value of 5.1583 indicates that BAS 03539089 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03539089. Following Lipinski's Rule of Five, BAS 03539089 has 1 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 03539089?
The CAS number of BAS 03539089 is 498537-87-4.
What is the molecular formula of BAS 03539089?
The molecular formula of BAS 03539089 is C23H21N3O3S.
What is the molecular weight of BAS 03539089?
The molecular weight of BAS 03539089 is 419.13 g/mol.
Where can I buy BAS 03539089?
You can request a quote for BAS 03539089 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03539089?
Yes, KEHONG BIO provides custom synthesis services for BAS 03539089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.