4-Chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile
TL;DR: 4-Chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile (CAS 307975-77-5) is a chemical compound with molecular formula C11H7ClN2OS and molecular weight 250.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-4-chloro-3-hydroxybut-2-enenitrile
Also Known As: 2-(3H-Benzothiazol-2-ylidene)-4-chloro-3-oxo-butyronitrile, 2-(Benzo[d]thiazol-2(3H)-ylidene)-4-chloro-3-oxobutanenitrile, 4-chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile, 2-(1,3-Benzothiazol-2(3h)-ylidene)-4-chloro-3-oxobutanenitrile
| Molecular Formula | C11H7ClN2OS |
|---|---|
| Molecular Weight | 250.00 g/mol |
| LogP | 3.32778 |
| Topological Polar Surface Area | 56.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.99677 |
| Heavy Atoms | 16 |
| Complexity | 564.29553 |
Chemical Identifiers
| CAS Number | 307975-77-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(=C(CCl)O)C#N |
Product Overview
4-Chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile (CAS 307975-77-5), with molecular formula C11H7ClN2OS and molecular weight 250.00 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-chloro-3-hydroxybut-2-enenitrile.
Chemical Property Profile of 4-Chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile
Property Insights of 4-Chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile
The XLogP value of 3.32778 indicates that 4-Chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.91 Ų, 4-Chloro-2-(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-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile 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 4-Chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile?
The CAS number of 4-Chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile is 307975-77-5.
What is the molecular formula of 4-Chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile?
The molecular formula of 4-Chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile is C11H7ClN2OS.
What is the molecular weight of 4-Chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile?
The molecular weight of 4-Chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile is 250.00 g/mol.
Where can I buy 4-Chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile?
You can request a quote for 4-Chloro-2-(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-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(2,3-dihydro-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.