Methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
TL;DR: Methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate (CAS 41280-81-3) is a chemical compound with molecular formula C11H9ClO3S and molecular weight 256.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
Also Known As: methyl 3-chloro-5-methoxybenzo[b]thiophene-2-carboxylate, methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate, J1.804.887F, Benzo[b]thiophene-2-carboxylic acid, 3-chloro-5-methoxy-, methyl ester, methyl 3-chloro-5-methoxy-benzothiophene-2-carboxylate
| Molecular Formula | C11H9ClO3S |
|---|---|
| Molecular Weight | 256.00 g/mol |
| LogP | 3.3499 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.9961 |
| Heavy Atoms | 16 |
| Complexity | 547.3984 |
Chemical Identifiers
| CAS Number | 41280-81-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)SC(=C2Cl)C(=O)OC |
Product Overview
Methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate (CAS 41280-81-3), with molecular formula C11H9ClO3S and molecular weight 256.00 g/mol. IUPAC: methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
Property Insights of Methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
The XLogP value of 3.3499 indicates that Methyl 3-chloro-5-methoxy-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 35.53 Ų, Methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate 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 Methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate?
The CAS number of Methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate is 41280-81-3.
What is the molecular formula of Methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate?
The molecular formula of Methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate is C11H9ClO3S.
What is the molecular weight of Methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate?
The molecular weight of Methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate is 256.00 g/mol.
Where can I buy Methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate?
You can request a quote for Methyl 3-chloro-5-methoxy-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 Methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.