3-Chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile
TL;DR: 3-Chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile (CAS 256348-09-1) is a chemical compound with molecular formula C10H4ClFN2S and molecular weight 237.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-(3-fluorophenyl)-1,2-thiazole-4-carbonitrile
Also Known As: 3-chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile, 3-chloro-5-(3-fluorophenyl)-1,2-thiazole-4-carbonitrile
| Molecular Formula | C10H4ClFN2S |
|---|---|
| Molecular Weight | 237.98 g/mol |
| LogP | 3.47428 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.97678 |
| Heavy Atoms | 15 |
| Complexity | 544.5957 |
Chemical Identifiers
| CAS Number | 256348-09-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C2=C(C(=NS2)Cl)C#N |
Product Overview
3-Chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile (CAS 256348-09-1), with molecular formula C10H4ClFN2S and molecular weight 237.98 g/mol. IUPAC: 3-chloro-5-(3-fluorophenyl)-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-Chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile
Property Insights of 3-Chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile
The XLogP value of 3.47428 indicates that 3-Chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 3-Chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile has 0 hydrogen bond donor(s) and 3 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 3-Chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile?
The CAS number of 3-Chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile is 256348-09-1.
What is the molecular formula of 3-Chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile?
The molecular formula of 3-Chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile is C10H4ClFN2S.
What is the molecular weight of 3-Chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile?
The molecular weight of 3-Chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile is 237.98 g/mol.
Where can I buy 3-Chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile?
You can request a quote for 3-Chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-(3-fluorophenyl)isothiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.