2-(1,3-Benzothiazol-2-yl)-3-(4-benzylphenyl)-3-hydroxyprop-2-enenitrile
TL;DR: 2-(1,3-Benzothiazol-2-yl)-3-(4-benzylphenyl)-3-hydroxyprop-2-enenitrile (CAS 476284-85-2) is a chemical compound with molecular formula C23H16N2OS and molecular weight 368.10 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-(4-benzylphenyl)-3-hydroxyprop-2-enenitrile
Also Known As: 3-(4-benzylphenyl)-2-[(2E)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-oxopropanenitrile
| Molecular Formula | C23H16N2OS |
|---|---|
| Molecular Weight | 368.10 g/mol |
| LogP | 5.83698 |
| Topological Polar Surface Area | 56.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.09833 |
| Heavy Atoms | 27 |
| Complexity | 1119.4403 |
Chemical Identifiers
| CAS Number | 476284-85-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC=C(C=C2)C(=C(C#N)C3=NC4=CC=CC=C4S3)O |
Product Overview
2-(1,3-Benzothiazol-2-yl)-3-(4-benzylphenyl)-3-hydroxyprop-2-enenitrile (CAS 476284-85-2), with molecular formula C23H16N2OS and molecular weight 368.10 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-3-(4-benzylphenyl)-3-hydroxyprop-2-enenitrile.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-3-(4-benzylphenyl)-3-hydroxyprop-2-enenitrile
Property Insights of 2-(1,3-Benzothiazol-2-yl)-3-(4-benzylphenyl)-3-hydroxyprop-2-enenitrile
The XLogP value of 5.83698 indicates that 2-(1,3-Benzothiazol-2-yl)-3-(4-benzylphenyl)-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-(4-benzylphenyl)-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-(4-benzylphenyl)-3-hydroxyprop-2-enenitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-Benzothiazol-2-yl)-3-(4-benzylphenyl)-3-hydroxyprop-2-enenitrile?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-3-(4-benzylphenyl)-3-hydroxyprop-2-enenitrile is 476284-85-2.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-(4-benzylphenyl)-3-hydroxyprop-2-enenitrile?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-(4-benzylphenyl)-3-hydroxyprop-2-enenitrile is C23H16N2OS.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-(4-benzylphenyl)-3-hydroxyprop-2-enenitrile?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-(4-benzylphenyl)-3-hydroxyprop-2-enenitrile is 368.10 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-3-(4-benzylphenyl)-3-hydroxyprop-2-enenitrile?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-3-(4-benzylphenyl)-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-(4-benzylphenyl)-3-hydroxyprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-3-(4-benzylphenyl)-3-hydroxyprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.