Methyl 3-chloro-4-methylthiophene-2-carboxylate
TL;DR: Methyl 3-chloro-4-methylthiophene-2-carboxylate (CAS 175137-11-8) 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 3-chloro-4-methylthiophene-2-carboxylate
Also Known As: methyl 3-chloro-4-methylthiophene-2-carboxylate, Maybridge1_003874, Methyl 3-chloro-4-methyl-2-thiophenecarboxylate, 2-Thiophenecarboxylic acid, 3-chloro-4-methyl-, methyl ester, 9084AA
| Molecular Formula | C7H7ClO2S |
|---|---|
| Molecular Weight | 189.99 g/mol |
| LogP | 2.49652 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.98553 |
| Heavy Atoms | 11 |
| Complexity | 279.968 |
Chemical Identifiers
| CAS Number | 175137-11-8 |
|---|---|
| SMILES | CC1=CSC(=C1Cl)C(=O)OC |
Product Overview
Methyl 3-chloro-4-methylthiophene-2-carboxylate (CAS 175137-11-8), with molecular formula C7H7ClO2S and molecular weight 189.99 g/mol. IUPAC: methyl 3-chloro-4-methylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-chloro-4-methylthiophene-2-carboxylate
Property Insights of Methyl 3-chloro-4-methylthiophene-2-carboxylate
The XLogP value of 2.49652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-chloro-4-methylthiophene-2-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-chloro-4-methylthiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-chloro-4-methylthiophene-2-carboxylate 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 Methyl 3-chloro-4-methylthiophene-2-carboxylate?
The CAS number of Methyl 3-chloro-4-methylthiophene-2-carboxylate is 175137-11-8.
What is the molecular formula of Methyl 3-chloro-4-methylthiophene-2-carboxylate?
The molecular formula of Methyl 3-chloro-4-methylthiophene-2-carboxylate is C7H7ClO2S.
What is the molecular weight of Methyl 3-chloro-4-methylthiophene-2-carboxylate?
The molecular weight of Methyl 3-chloro-4-methylthiophene-2-carboxylate is 189.99 g/mol.
Where can I buy Methyl 3-chloro-4-methylthiophene-2-carboxylate?
You can request a quote for Methyl 3-chloro-4-methylthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-chloro-4-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-chloro-4-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.