4-(Acetylamino)phenyl 3-chloro-1-benzothiophene-2-carboxylate
TL;DR: 4-(Acetylamino)phenyl 3-chloro-1-benzothiophene-2-carboxylate (CAS 359458-41-6) is a chemical compound with molecular formula C17H12ClNO3S and molecular weight 345.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetamidophenyl) 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: 4-(acetylamino)phenyl 3-chloro-1-benzothiophene-2-carboxylate, (4-acetamidophenyl) 3-chloro-1-benzothiophene-2-carboxylate, AN-329/13038785, (4-acetamidophenyl) 3-chlorobenzothiophene-2-carboxylate, 4-ACETAMIDOPHENYL 3-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE
| Molecular Formula | C17H12ClNO3S |
|---|---|
| Molecular Weight | 345.02 g/mol |
| LogP | 4.7323 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.02264 |
| Heavy Atoms | 23 |
| Complexity | 886.4948 |
Chemical Identifiers
| CAS Number | 359458-41-6 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
4-(Acetylamino)phenyl 3-chloro-1-benzothiophene-2-carboxylate (CAS 359458-41-6), with molecular formula C17H12ClNO3S and molecular weight 345.02 g/mol. IUPAC: (4-acetamidophenyl) 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of 4-(Acetylamino)phenyl 3-chloro-1-benzothiophene-2-carboxylate
Property Insights of 4-(Acetylamino)phenyl 3-chloro-1-benzothiophene-2-carboxylate
The XLogP value of 4.7323 indicates that 4-(Acetylamino)phenyl 3-chloro-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 4-(Acetylamino)phenyl 3-chloro-1-benzothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Acetylamino)phenyl 3-chloro-1-benzothiophene-2-carboxylate 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 3-chloro-1-benzothiophene-2-carboxylate?
The CAS number of 4-(Acetylamino)phenyl 3-chloro-1-benzothiophene-2-carboxylate is 359458-41-6.
What is the molecular formula of 4-(Acetylamino)phenyl 3-chloro-1-benzothiophene-2-carboxylate?
The molecular formula of 4-(Acetylamino)phenyl 3-chloro-1-benzothiophene-2-carboxylate is C17H12ClNO3S.
What is the molecular weight of 4-(Acetylamino)phenyl 3-chloro-1-benzothiophene-2-carboxylate?
The molecular weight of 4-(Acetylamino)phenyl 3-chloro-1-benzothiophene-2-carboxylate is 345.02 g/mol.
Where can I buy 4-(Acetylamino)phenyl 3-chloro-1-benzothiophene-2-carboxylate?
You can request a quote for 4-(Acetylamino)phenyl 3-chloro-1-benzothiophene-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-(Acetylamino)phenyl 3-chloro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetylamino)phenyl 3-chloro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.