4,5-二氯噻吩-2-甲酸
TL;DR: 4,5-二氯噻吩-2-甲酸 (CAS 31166-29-7) is a chemical compound with molecular formula C5H2Cl2O2S and molecular weight 195.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-二氯噻吩-2-甲酸
4,5-dichlorothiophene-2-carboxylic acid
Also Known As: 4,5-dichlorothiophene-2-carboxylic acid, Rivaroxaban Impurity 22, Rivaroxaban Related Impurity 1, 4,5-dichloro-2-thiophenecarboxylic acid, 2-Thiophenecarboxylic acid, 4,5-dichloro-
| Molecular Formula | C5H2Cl2O2S |
|---|---|
| Molecular Weight | 195.92 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.91525 |
| Heavy Atoms | 10 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 31166-29-7 |
|---|---|
| SMILES | C1=C(SC(=C1Cl)Cl)C(=O)O |
| InChIKey | JDBAYLWBVQVMTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-二氯噻吩-2-甲酸 (CAS 31166-29-7), with molecular formula C5H2Cl2O2S and molecular weight 195.92 g/mol. IUPAC: 4,5-dichlorothiophene-2-carboxylic acid.
Chemical Property Profile of 4,5-二氯噻吩-2-甲酸
Property Insights of 4,5-二氯噻吩-2-甲酸
The XLogP value of 3.1 indicates that 4,5-二氯噻吩-2-甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-二氯噻吩-2-甲酸. Following Lipinski's Rule of Five, 4,5-二氯噻吩-2-甲酸 has 1 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 4,5-二氯噻吩-2-甲酸?
The CAS number of 4,5-二氯噻吩-2-甲酸 is 31166-29-7.
What is the molecular formula of 4,5-二氯噻吩-2-甲酸?
The molecular formula of 4,5-二氯噻吩-2-甲酸 is C5H2Cl2O2S.
What is the molecular weight of 4,5-二氯噻吩-2-甲酸?
The molecular weight of 4,5-二氯噻吩-2-甲酸 is 195.92 g/mol.
Where can I buy 4,5-二氯噻吩-2-甲酸?
You can request a quote for 4,5-二氯噻吩-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-二氯噻吩-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4,5-二氯噻吩-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.