3,4-二氯-5-异噻唑甲酸
TL;DR: 3,4-二氯-5-异噻唑甲酸 (CAS 18480-53-0) is a chemical compound with molecular formula C4HCl2NO2S and molecular weight 196.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二氯-5-异噻唑甲酸
3,4-dichloro-1,2-thiazole-5-carboxylic acid
Also Known As: 3,4-Dichloroisothiazole-5-carboxylic acid, C4HCl2NO2S, 3,4-Dichloro-5-isothiazolecarboxylic acid, 5-Isothiazolecarboxylicacid, 3,4-dichloro-, 3,4-Dichloro-5-isothiazolecarboxylate
| Molecular Formula | C4HCl2NO2S |
|---|---|
| Molecular Weight | 196.91 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.9105 |
| Heavy Atoms | 10 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 18480-53-0 |
|---|---|
| SMILES | C1(=C(SN=C1Cl)C(=O)O)Cl |
| InChIKey | HQZKNCJWLIWCSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二氯-5-异噻唑甲酸 (CAS 18480-53-0), with molecular formula C4HCl2NO2S and molecular weight 196.91 g/mol. IUPAC: 3,4-dichloro-1,2-thiazole-5-carboxylic acid.
Chemical Property Profile of 3,4-二氯-5-异噻唑甲酸
Property Insights of 3,4-二氯-5-异噻唑甲酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二氯-5-异噻唑甲酸. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-二氯-5-异噻唑甲酸. Following Lipinski's Rule of Five, 3,4-二氯-5-异噻唑甲酸 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 3,4-二氯-5-异噻唑甲酸?
The CAS number of 3,4-二氯-5-异噻唑甲酸 is 18480-53-0.
What is the molecular formula of 3,4-二氯-5-异噻唑甲酸?
The molecular formula of 3,4-二氯-5-异噻唑甲酸 is C4HCl2NO2S.
What is the molecular weight of 3,4-二氯-5-异噻唑甲酸?
The molecular weight of 3,4-二氯-5-异噻唑甲酸 is 196.91 g/mol.
Where can I buy 3,4-二氯-5-异噻唑甲酸?
You can request a quote for 3,4-二氯-5-异噻唑甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二氯-5-异噻唑甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二氯-5-异噻唑甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.