2-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile
TL;DR: 2-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile (CAS 304897-06-1) is a chemical compound with molecular formula C16H9IN2OS and molecular weight 403.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(1,3-benzothiazol-2-yl)-3-hydroxy-3-(4-iodophenyl)prop-2-enenitrile
Also Known As: BAS 00502364, AB00099395-01, AF-399/36911007, 2-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile, 2-(1,3-benzothiazol-2-yl)-3-hydroxy-3-(4-iodophenyl)acrylonitrile
| Molecular Formula | C16H9IN2OS |
|---|---|
| Molecular Weight | 403.95 g/mol |
| LogP | 4.85078 |
| Topological Polar Surface Area | 56.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.94803 |
| Heavy Atoms | 21 |
| Complexity | 842.1784 |
Chemical Identifiers
| CAS Number | 304897-06-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)/C(=C(/C3=CC=C(C=C3)I)\O)/C#N |
Product Overview
2-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile (CAS 304897-06-1), with molecular formula C16H9IN2OS and molecular weight 403.95 g/mol. IUPAC: (Z)-2-(1,3-benzothiazol-2-yl)-3-hydroxy-3-(4-iodophenyl)prop-2-enenitrile.
Chemical Property Profile of 2-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile
Property Insights of 2-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile
The XLogP value of 4.85078 indicates that 2-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile 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-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile 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-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile?
The CAS number of 2-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile is 304897-06-1.
What is the molecular formula of 2-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile?
The molecular formula of 2-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile is C16H9IN2OS.
What is the molecular weight of 2-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile?
The molecular weight of 2-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile is 403.95 g/mol.
Where can I buy 2-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile?
You can request a quote for 2-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazol-2-yl-3-hydroxy-3-(4-iodo-phenyl)-acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.