4-Chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate
TL;DR: 4-Chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate (CAS 667885-55-4) 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-5-methyl-2-propan-2-ylphenyl) thiophene-2-carboxylate
Also Known As: 4-chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate, AO-548/13388050, (4-chloro-5-methyl-2-propan-2-ylphenyl) thiophene-2-carboxylate
| Molecular Formula | C15H15ClO2S |
|---|---|
| Molecular Weight | 294.05 g/mol |
| LogP | 5.05252 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.04813 |
| Heavy Atoms | 19 |
| Complexity | 588.44305 |
Chemical Identifiers
| CAS Number | 667885-55-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)C2=CC=CS2 |
Product Overview
4-Chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate (CAS 667885-55-4), with molecular formula C15H15ClO2S and molecular weight 294.05 g/mol. IUPAC: (4-chloro-5-methyl-2-propan-2-ylphenyl) thiophene-2-carboxylate.
Chemical Property Profile of 4-Chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate
Property Insights of 4-Chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate
The XLogP value of 5.05252 indicates that 4-Chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate 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 4-Chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate?
The CAS number of 4-Chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate is 667885-55-4.
What is the molecular formula of 4-Chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate?
The molecular formula of 4-Chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate is C15H15ClO2S.
What is the molecular weight of 4-Chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate?
The molecular weight of 4-Chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate is 294.05 g/mol.
Where can I buy 4-Chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate?
You can request a quote for 4-Chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-isopropyl-5-methylphenyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.