2,3-Dimethylphenyl 2-thiophenecarboxylate
TL;DR: 2,3-Dimethylphenyl 2-thiophenecarboxylate (CAS 415694-72-3) is a chemical compound with molecular formula C13H12O2S and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3-dimethylphenyl) thiophene-2-carboxylate
Also Known As: 2,3-dimethylphenyl 2-thiophenecarboxylate, (2,3-dimethylphenyl) thiophene-2-carboxylate, 2,3-DIMETHYLPHENYL THIOPHENE-2-CARBOXYLATE, AN-652/41452543
| Molecular Formula | C13H12O2S |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 3.58414 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.0558 |
| Heavy Atoms | 16 |
| Complexity | 500.65607 |
Chemical Identifiers
| CAS Number | 415694-72-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OC(=O)C2=CC=CS2)C |
Product Overview
2,3-Dimethylphenyl 2-thiophenecarboxylate (CAS 415694-72-3), with molecular formula C13H12O2S and molecular weight 232.06 g/mol. IUPAC: (2,3-dimethylphenyl) thiophene-2-carboxylate.
Chemical Property Profile of 2,3-Dimethylphenyl 2-thiophenecarboxylate
Property Insights of 2,3-Dimethylphenyl 2-thiophenecarboxylate
The XLogP value of 3.58414 indicates that 2,3-Dimethylphenyl 2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,3-Dimethylphenyl 2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethylphenyl 2-thiophenecarboxylate 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 2,3-Dimethylphenyl 2-thiophenecarboxylate?
The CAS number of 2,3-Dimethylphenyl 2-thiophenecarboxylate is 415694-72-3.
What is the molecular formula of 2,3-Dimethylphenyl 2-thiophenecarboxylate?
The molecular formula of 2,3-Dimethylphenyl 2-thiophenecarboxylate is C13H12O2S.
What is the molecular weight of 2,3-Dimethylphenyl 2-thiophenecarboxylate?
The molecular weight of 2,3-Dimethylphenyl 2-thiophenecarboxylate is 232.06 g/mol.
Where can I buy 2,3-Dimethylphenyl 2-thiophenecarboxylate?
You can request a quote for 2,3-Dimethylphenyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethylphenyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethylphenyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.