2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester
TL;DR: 2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester (CAS 34776-79-9) is a chemical compound with molecular formula C7H7ClO2S and molecular weight 189.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(chloromethyl)thiophene-2-carboxylate
Also Known As: methyl 5-(chloromethyl)thiophene-2-carboxylate, 2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester, methyl 2-chloromethyl-5-thiophenecarboxylate, 869-785-2, RefChem:483786
| Molecular Formula | C7H7ClO2S |
|---|---|
| Molecular Weight | 189.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.98553 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 34776-79-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(S1)CCl |
| InChIKey | CWBAQHYKHFVBGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester (CAS 34776-79-9), with molecular formula C7H7ClO2S and molecular weight 189.99 g/mol. IUPAC: methyl 5-(chloromethyl)thiophene-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester
Property Insights of 2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester. With a topological polar surface area (TPSA) of 54.5 Ų, 2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester 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 2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester?
The CAS number of 2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester is 34776-79-9.
What is the molecular formula of 2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester?
The molecular formula of 2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester is C7H7ClO2S.
What is the molecular weight of 2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester?
The molecular weight of 2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester is 189.99 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester?
You can request a quote for 2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.