BAS 02590341
TL;DR: BAS 02590341 (CAS 333414-59-8) is a chemical compound with molecular formula C27H19N3O5S and molecular weight 497.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(3-methoxy-4-phenacyloxyphenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: BAS 02590341, (Z)-3-(3-methoxy-4-phenacyloxyphenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, 2-(4-{3-nitrophenyl}-1,3-thiazol-2-yl)-3-[3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl]acrylonitrile, (2Z)-3-[3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (Z)-3-(3-methoxy-4-(2-oxo-2-phenylethoxy)phenyl)-2-(4-(3-nitrophenyl)thiazol-2-yl)acrylonitrile
| Molecular Formula | C27H19N3O5S |
|---|---|
| Molecular Weight | 497.10 g/mol |
| LogP | 6.05278 |
| Topological Polar Surface Area | 115.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 497.10455 |
| Heavy Atoms | 36 |
| Complexity | 1488.7924 |
Chemical Identifiers
| CAS Number | 333414-59-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(/C#N)\C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])OCC(=O)C4=CC=CC=C4 |
Product Overview
BAS 02590341 (CAS 333414-59-8), with molecular formula C27H19N3O5S and molecular weight 497.10 g/mol. IUPAC: (Z)-3-(3-methoxy-4-phenacyloxyphenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of BAS 02590341
Property Insights of BAS 02590341
The XLogP value of 6.05278 indicates that BAS 02590341 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.35 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02590341. Following Lipinski's Rule of Five, BAS 02590341 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02590341?
The CAS number of BAS 02590341 is 333414-59-8.
What is the molecular formula of BAS 02590341?
The molecular formula of BAS 02590341 is C27H19N3O5S.
What is the molecular weight of BAS 02590341?
The molecular weight of BAS 02590341 is 497.10 g/mol.
Where can I buy BAS 02590341?
You can request a quote for BAS 02590341 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02590341?
Yes, KEHONG BIO provides custom synthesis services for BAS 02590341 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.