3-(Methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate
TL;DR: 3-(Methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate (CAS 359458-39-2) is a chemical compound with molecular formula C17H11ClO4S and molecular weight 346.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxycarbonylphenyl) 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: 3-(methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate, AN-329/13038783, (3-methoxycarbonylphenyl) 3-chloro-1-benzothiophene-2-carboxylate, (3-methoxycarbonylphenyl) 3-chlorobenzothiophene-2-carboxylate
| Molecular Formula | C17H11ClO4S |
|---|---|
| Molecular Weight | 346.01 g/mol |
| LogP | 4.5605 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.00665 |
| Heavy Atoms | 23 |
| Complexity | 900.4997 |
Chemical Identifiers
| CAS Number | 359458-39-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)OC(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
3-(Methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate (CAS 359458-39-2), with molecular formula C17H11ClO4S and molecular weight 346.01 g/mol. IUPAC: (3-methoxycarbonylphenyl) 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of 3-(Methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate
Property Insights of 3-(Methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate
The XLogP value of 4.5605 indicates that 3-(Methoxycarbonyl)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 52.6 Ų, 3-(Methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate has 0 hydrogen bond donor(s) and 5 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 3-(Methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate?
The CAS number of 3-(Methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate is 359458-39-2.
What is the molecular formula of 3-(Methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate?
The molecular formula of 3-(Methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate is C17H11ClO4S.
What is the molecular weight of 3-(Methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate?
The molecular weight of 3-(Methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate is 346.01 g/mol.
Where can I buy 3-(Methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate?
You can request a quote for 3-(Methoxycarbonyl)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 3-(Methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methoxycarbonyl)phenyl 3-chloro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.