4-(Acetylamino)phenyl 2-thiophenecarboxylate
TL;DR: 4-(Acetylamino)phenyl 2-thiophenecarboxylate (CAS 6827-91-4) is a chemical compound with molecular formula C13H11NO3S and molecular weight 261.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamidophenyl) thiophene-2-carboxylate
Also Known As: Thiocetamol, Paracetamol thenoate, (4-acetamidophenyl) thiophene-2-carboxylate, 4-Acetamidophenyl-2-thiophenecarboxylate, 4-(acetylamino)phenyl 2-thiophenecarboxylate
| Molecular Formula | C13H11NO3S |
|---|---|
| Molecular Weight | 261.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.04596 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 6827-91-4 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CS2 |
| InChIKey | FGNYPSLGEUCLPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Acetylamino)phenyl 2-thiophenecarboxylate (CAS 6827-91-4), with molecular formula C13H11NO3S and molecular weight 261.05 g/mol. IUPAC: (4-acetamidophenyl) thiophene-2-carboxylate.
Chemical Property Profile of 4-(Acetylamino)phenyl 2-thiophenecarboxylate
Property Insights of 4-(Acetylamino)phenyl 2-thiophenecarboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Acetylamino)phenyl 2-thiophenecarboxylate. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Acetylamino)phenyl 2-thiophenecarboxylate. Following Lipinski's Rule of Five, 4-(Acetylamino)phenyl 2-thiophenecarboxylate has 1 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-(Acetylamino)phenyl 2-thiophenecarboxylate?
The CAS number of 4-(Acetylamino)phenyl 2-thiophenecarboxylate is 6827-91-4.
What is the molecular formula of 4-(Acetylamino)phenyl 2-thiophenecarboxylate?
The molecular formula of 4-(Acetylamino)phenyl 2-thiophenecarboxylate is C13H11NO3S.
What is the molecular weight of 4-(Acetylamino)phenyl 2-thiophenecarboxylate?
The molecular weight of 4-(Acetylamino)phenyl 2-thiophenecarboxylate is 261.05 g/mol.
Where can I buy 4-(Acetylamino)phenyl 2-thiophenecarboxylate?
You can request a quote for 4-(Acetylamino)phenyl 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-(Acetylamino)phenyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetylamino)phenyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.