Cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate
TL;DR: Cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate (CAS 817565-58-5) is a chemical compound with molecular formula C13H11ClO2S and molecular weight 266.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate, Cyclopropylmethyl 3-chlorobenzo[b]thiophene-2-carboxylate, AN-329/42812020
| Molecular Formula | C13H11ClO2S |
|---|---|
| Molecular Weight | 266.02 g/mol |
| LogP | 4.1215 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.0168 |
| Heavy Atoms | 17 |
| Complexity | 571.80316 |
Chemical Identifiers
| CAS Number | 817565-58-5 |
|---|---|
| SMILES | C1CC1COC(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
Cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate (CAS 817565-58-5), with molecular formula C13H11ClO2S and molecular weight 266.02 g/mol. IUPAC: cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate
Property Insights of Cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate
The XLogP value of 4.1215 indicates that Cyclopropylmethyl 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 26.3 Ų, Cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate has 0 hydrogen bond donor(s) and 3 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 Cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate?
The CAS number of Cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate is 817565-58-5.
What is the molecular formula of Cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate?
The molecular formula of Cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate is C13H11ClO2S.
What is the molecular weight of Cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate?
The molecular weight of Cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate is 266.02 g/mol.
Where can I buy Cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate?
You can request a quote for Cyclopropylmethyl 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 Cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropylmethyl 3-chloro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.