4-Acetylphenyl 2-thiophenecarboxylate
TL;DR: 4-Acetylphenyl 2-thiophenecarboxylate (CAS 313224-87-2) is a chemical compound with molecular formula C13H10O3S and molecular weight 246.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetylphenyl) thiophene-2-carboxylate
Also Known As: 4-acetylphenyl 2-thiophenecarboxylate, 4-acetylphenyl thiophene-2-carboxylate, (4-acetylphenyl) thiophene-2-carboxylate, BAS 00442285, AB00081021-01
| Molecular Formula | C13H10O3S |
|---|---|
| Molecular Weight | 246.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.03506 |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 313224-87-2 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CS2 |
| InChIKey | UOXHTKNDPGGFCW-UHFFFAOYSA-N |
Product Overview
4-Acetylphenyl 2-thiophenecarboxylate (CAS 313224-87-2), with molecular formula C13H10O3S and molecular weight 246.04 g/mol. IUPAC: (4-acetylphenyl) thiophene-2-carboxylate.
Chemical Property Profile of 4-Acetylphenyl 2-thiophenecarboxylate
Property Insights of 4-Acetylphenyl 2-thiophenecarboxylate
The XLogP value of 3.0 indicates that 4-Acetylphenyl 2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetylphenyl 2-thiophenecarboxylate. Following Lipinski's Rule of Five, 4-Acetylphenyl 2-thiophenecarboxylate has 0 hydrogen bond donor(s) and 4 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 4-Acetylphenyl 2-thiophenecarboxylate?
The CAS number of 4-Acetylphenyl 2-thiophenecarboxylate is 313224-87-2.
What is the molecular formula of 4-Acetylphenyl 2-thiophenecarboxylate?
The molecular formula of 4-Acetylphenyl 2-thiophenecarboxylate is C13H10O3S.
What is the molecular weight of 4-Acetylphenyl 2-thiophenecarboxylate?
The molecular weight of 4-Acetylphenyl 2-thiophenecarboxylate is 246.04 g/mol.
Where can I buy 4-Acetylphenyl 2-thiophenecarboxylate?
You can request a quote for 4-Acetylphenyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetylphenyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetylphenyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.