4-Chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile
TL;DR: 4-Chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile (CAS 746607-67-0) is a chemical compound with molecular formula C12H9ClN2OS and molecular weight 264.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-4-chloro-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile
Also Known As: 4-chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile, (2Z)-4-chloro-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile
| Molecular Formula | C12H9ClN2OS |
|---|---|
| Molecular Weight | 264.01 g/mol |
| LogP | 2.77158 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.01242 |
| Heavy Atoms | 17 |
| Complexity | 547.68176 |
Chemical Identifiers
| CAS Number | 746607-67-0 |
|---|---|
| SMILES | CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)CCl |
Product Overview
4-Chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile (CAS 746607-67-0), with molecular formula C12H9ClN2OS and molecular weight 264.01 g/mol. IUPAC: (2Z)-4-chloro-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile.
Chemical Property Profile of 4-Chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile
Property Insights of 4-Chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile
The XLogP value of 2.77158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 4-Chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile has 0 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 4-Chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile?
The CAS number of 4-Chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile is 746607-67-0.
What is the molecular formula of 4-Chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile?
The molecular formula of 4-Chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile is C12H9ClN2OS.
What is the molecular weight of 4-Chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile?
The molecular weight of 4-Chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile is 264.01 g/mol.
Where can I buy 4-Chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile?
You can request a quote for 4-Chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.