(E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile
TL;DR: (E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile (CAS 476278-96-3) is a chemical compound with molecular formula C14H7ClN2OS2 and molecular weight 317.97 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-(5-chlorothiophen-2-yl)-3-hydroxyprop-2-enenitrile
Also Known As: F0317-0202, 3-(5-chlorothiophen-2-yl)-2-[(2E)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-oxopropanenitrile, (E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile
| Molecular Formula | C14H7ClN2OS2 |
|---|---|
| Molecular Weight | 317.97 g/mol |
| LogP | 4.96108 |
| Topological Polar Surface Area | 56.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.96884 |
| Heavy Atoms | 20 |
| Complexity | 824.31146 |
Chemical Identifiers
| CAS Number | 476278-96-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(=C(C3=CC=C(S3)Cl)O)C#N |
Product Overview
(E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile (CAS 476278-96-3), with molecular formula C14H7ClN2OS2 and molecular weight 317.97 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-3-(5-chlorothiophen-2-yl)-3-hydroxyprop-2-enenitrile.
Chemical Property Profile of (E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile
Property Insights of (E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile
The XLogP value of 4.96108 indicates that (E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.91 Ų, (E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile has 1 hydrogen bond donor(s) and 5 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 (E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile?
The CAS number of (E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile is 476278-96-3.
What is the molecular formula of (E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile?
The molecular formula of (E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile is C14H7ClN2OS2.
What is the molecular weight of (E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile?
The molecular weight of (E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile is 317.97 g/mol.
Where can I buy (E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile?
You can request a quote for (E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-(5-chloro-2-thenoyl)(2,3-dihydro-1,3-benzothiazol-2-ylidene)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.