2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester
TL;DR: 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester (CAS 4079-31-6) is a chemical compound with molecular formula C15H15ClO2S and molecular weight 294.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-2-methyl-5-propan-2-ylphenyl) thiophene-2-carboxylate
Also Known As: alpha-Thenoate chlorocarvacrol, alpha-Thenoate chlorocarvacrol [French], 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester, 4-Chloro-2-methyl-5-(1-methylethyl)phenyl 2-thiophenecarboxylate, 4-chloro-2-methyl-5-(propan-2-yl)phenyl thiophene-2-carboxylate
| Molecular Formula | C15H15ClO2S |
|---|---|
| Molecular Weight | 294.05 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.04813 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 4079-31-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1OC(=O)C2=CC=CS2)C(C)C)Cl |
| InChIKey | VRJMYKPCACBQKG-UHFFFAOYSA-N |
Product Overview
2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester (CAS 4079-31-6), with molecular formula C15H15ClO2S and molecular weight 294.05 g/mol. IUPAC: (4-chloro-2-methyl-5-propan-2-ylphenyl) thiophene-2-carboxylate.
Chemical Property Profile of 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester
Property Insights of 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester
The XLogP value of 5.5 indicates that 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester?
The CAS number of 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester is 4079-31-6.
What is the molecular formula of 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester?
The molecular formula of 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester is C15H15ClO2S.
What is the molecular weight of 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester?
The molecular weight of 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester is 294.05 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester?
You can request a quote for 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl 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, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.