![1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid structure](/static/products/855/85589-69-1.png)
1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid
TL;DR: 1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid (CAS 85589-69-1) is a chemical compound with molecular formula C13H7ClO2S and molecular weight 261.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chlorobenzo[e][1]benzothiole-2-carboxylic acid
Also Known As: 1-chloronaphtho[2,1-b]thiophene-2-carboxylic acid, Z-8-Dodecen-1-ol, chloronaphthobthiophenecarboxylicacid, 1-chlorobenzo[e][1]benzothiole-2-carboxylic acid, 1-chloronaphtho2,1-bthiophene-2-carboxylic acid
| Molecular Formula | C13H7ClO2S |
|---|---|
| Molecular Weight | 261.99 g/mol |
| LogP | 4.4061 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.98553 |
| Heavy Atoms | 17 |
| Complexity | 745.59393 |
Chemical Identifiers
| CAS Number | 85589-69-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C(=C(S3)C(=O)O)Cl |
Product Overview
1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid (CAS 85589-69-1), with molecular formula C13H7ClO2S and molecular weight 261.99 g/mol. IUPAC: 1-chlorobenzo[e][1]benzothiole-2-carboxylic acid.
Chemical Property Profile of 1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid
Property Insights of 1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid
The XLogP value of 4.4061 indicates that 1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid has 1 hydrogen bond donor(s) and 2 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 1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid?
The CAS number of 1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid is 85589-69-1.
What is the molecular formula of 1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid?
The molecular formula of 1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid is C13H7ClO2S.
What is the molecular weight of 1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid?
The molecular weight of 1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid is 261.99 g/mol.
Where can I buy 1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid?
You can request a quote for 1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloronaphtho[2,1-b]thiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.