![2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile structure](/static/products/6499/6499-64-5.webp)
2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile
TL;DR: 2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile (CAS 6499-64-5) is a chemical compound with molecular formula C18H14ClN3O4S and molecular weight 403.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethylsulfonyl)anilino]prop-2-enenitrile
Also Known As: 2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile, 2-(5-chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethylsulfonyl)anilino]prop-2-enenitrile, 2-(5-chlorobenzooxazol-2-yl)-3-[[4-(2-hydroxyethylsulfonyl)phenyl]amino]prop-2-enenitrile
| Molecular Formula | C18H14ClN3O4S |
|---|---|
| Molecular Weight | 403.04 g/mol |
| LogP | 3.22378 |
| Topological Polar Surface Area | 116.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.03937 |
| Heavy Atoms | 27 |
| Complexity | 1145.5586 |
Chemical Identifiers
| CAS Number | 6499-64-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC=C(C#N)C2=NC3=C(O2)C=CC(=C3)Cl)S(=O)(=O)CCO |
Product Overview
2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile (CAS 6499-64-5), with molecular formula C18H14ClN3O4S and molecular weight 403.04 g/mol. IUPAC: 2-(5-chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethylsulfonyl)anilino]prop-2-enenitrile.
Chemical Property Profile of 2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile
Property Insights of 2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile
The XLogP value of 3.22378 indicates that 2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile?
The CAS number of 2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile is 6499-64-5.
What is the molecular formula of 2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile?
The molecular formula of 2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile is C18H14ClN3O4S.
What is the molecular weight of 2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile?
The molecular weight of 2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile is 403.04 g/mol.
Where can I buy 2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile?
You can request a quote for 2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Chloro-1,3-benzoxazol-2-yl)-3-[4-(2-hydroxyethanesulfonyl)anilino]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.