Prop-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate
TL;DR: Prop-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate (CAS 324044-88-4) is a chemical compound with molecular formula C12H7ClO2S and molecular weight 249.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: prop-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate, 2-Propyn-1-yl 3-chlorobenzo[b]thiophene-2-carboxylate, 2-propynyl 3-chloro-1-benzothiophene-2-carboxylate, prop-2-yn-1-yl 3-chloro-1-benzothiophene-2-carboxylate, prop-2-yn-1-yl 3-chlorobenzo[b]thiophene-2-carboxylate
| Molecular Formula | C12H7ClO2S |
|---|---|
| Molecular Weight | 249.99 g/mol |
| LogP | 3.3447 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.98553 |
| Heavy Atoms | 16 |
| Complexity | 580.20654 |
Chemical Identifiers
| CAS Number | 324044-88-4 |
|---|---|
| SMILES | C#CCOC(=O)C1=C(C2=CC=CC=C2S1)Cl |
Product Overview
Prop-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate (CAS 324044-88-4), with molecular formula C12H7ClO2S and molecular weight 249.99 g/mol. IUPAC: prop-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Prop-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate
Property Insights of Prop-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate
The XLogP value of 3.3447 indicates that Prop-2-ynyl 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, Prop-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-ynyl 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 Prop-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate?
The CAS number of Prop-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate is 324044-88-4.
What is the molecular formula of Prop-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate?
The molecular formula of Prop-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate is C12H7ClO2S.
What is the molecular weight of Prop-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate?
The molecular weight of Prop-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate is 249.99 g/mol.
Where can I buy Prop-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate?
You can request a quote for Prop-2-ynyl 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 Prop-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.