2-(1,3-Benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile
TL;DR: 2-(1,3-Benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile (CAS 476278-33-8) is a chemical compound with molecular formula C16H9ClN2OS and molecular weight 312.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile
Also Known As: 3-(3-chlorophenyl)-2-[(2E)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-oxopropanenitrile
| Molecular Formula | C16H9ClN2OS |
|---|---|
| Molecular Weight | 312.01 g/mol |
| LogP | 4.89958 |
| Topological Polar Surface Area | 56.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.01242 |
| Heavy Atoms | 21 |
| Complexity | 859.4284 |
Chemical Identifiers
| CAS Number | 476278-33-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(=C(C3=CC(=CC=C3)Cl)O)C#N |
Product Overview
2-(1,3-Benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile (CAS 476278-33-8), with molecular formula C16H9ClN2OS and molecular weight 312.01 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile
Property Insights of 2-(1,3-Benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile
The XLogP value of 4.89958 indicates that 2-(1,3-Benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.91 Ų, 2-(1,3-Benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile has 1 hydrogen bond donor(s) and 4 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-(1,3-Benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile is 476278-33-8.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile is C16H9ClN2OS.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile is 312.01 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-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-(1,3-Benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-3-(3-chlorophenyl)-3-hydroxyprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.