![Methyl 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-2-carboxylate structure](/static/products/1047/104795-86-0.webp)
Methyl 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-2-carboxylate
TL;DR: Methyl 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-2-carboxylate (CAS 104795-86-0) is a chemical compound with molecular formula C13H13ClO3S and molecular weight 284.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-chloro-3-propan-2-yloxy-1-benzothiophene-2-carboxylate
Also Known As: Maybridge3_005339, IDI1_016726, Methyl 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-2-carboxylate, methyl 6-chloro-3-propan-2-yloxy-1-benzothiophene-2-carboxylate, Methyl 6-chloro-3-[(propan-2-yl)oxy]-1-benzothiophene-2-carboxylate
| Molecular Formula | C13H13ClO3S |
|---|---|
| Molecular Weight | 284.03 g/mol |
| LogP | 4.1285 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.0274 |
| Heavy Atoms | 18 |
| Complexity | 589.179 |
Chemical Identifiers
| CAS Number | 104795-86-0 |
|---|---|
| SMILES | CC(C)OC1=C(SC2=C1C=CC(=C2)Cl)C(=O)OC |
Product Overview
Methyl 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-2-carboxylate (CAS 104795-86-0), with molecular formula C13H13ClO3S and molecular weight 284.03 g/mol. IUPAC: methyl 6-chloro-3-propan-2-yloxy-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-2-carboxylate
Property Insights of Methyl 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-2-carboxylate
The XLogP value of 4.1285 indicates that Methyl 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-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 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-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 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-2-carboxylate?
The CAS number of Methyl 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-2-carboxylate is 104795-86-0.
What is the molecular formula of Methyl 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-2-carboxylate?
The molecular formula of Methyl 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-2-carboxylate is C13H13ClO3S.
What is the molecular weight of Methyl 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-2-carboxylate?
The molecular weight of Methyl 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-2-carboxylate is 284.03 g/mol.
Where can I buy Methyl 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-2-carboxylate?
You can request a quote for Methyl 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-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 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-chloro-3-(1-methylethoxy)benzo[b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.