BAS 02590327
TL;DR: BAS 02590327 (CAS 333414-47-4) is a chemical compound with molecular formula C27H20N2O3S and molecular weight 452.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-methoxy-4-phenacyloxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Also Known As: BAS 02590327, (E)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile, (E)-3-(3-methoxy-4-phenacyloxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile, (2E)-3-[3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
| Molecular Formula | C27H20N2O3S |
|---|---|
| Molecular Weight | 452.12 g/mol |
| LogP | 6.14458 |
| Topological Polar Surface Area | 72.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.11948 |
| Heavy Atoms | 33 |
| Complexity | 1322.496 |
Chemical Identifiers
| CAS Number | 333414-47-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC=CC=C3)OCC(=O)C4=CC=CC=C4 |
Product Overview
BAS 02590327 (CAS 333414-47-4), with molecular formula C27H20N2O3S and molecular weight 452.12 g/mol. IUPAC: (E)-3-(3-methoxy-4-phenacyloxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of BAS 02590327
Property Insights of BAS 02590327
The XLogP value of 6.14458 indicates that BAS 02590327 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.21 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02590327. Following Lipinski's Rule of Five, BAS 02590327 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 02590327?
The CAS number of BAS 02590327 is 333414-47-4.
What is the molecular formula of BAS 02590327?
The molecular formula of BAS 02590327 is C27H20N2O3S.
What is the molecular weight of BAS 02590327?
The molecular weight of BAS 02590327 is 452.12 g/mol.
Where can I buy BAS 02590327?
You can request a quote for BAS 02590327 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02590327?
Yes, KEHONG BIO provides custom synthesis services for BAS 02590327 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.