![4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid structure](/static/products/4013/40133-09-3.webp)
4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid
TL;DR: 4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid (CAS 40133-09-3) is a chemical compound with molecular formula C11H14O2S and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylic acid
Also Known As: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylic acid, 4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid, 4,5,6,7,8,9-Hexahydro-1H-cyclooctimidazole, Cycloocta[b]thiophene-2-carboxylicacid, 4,5,6,7,8,9-hexahydro-, 4,5,6,7,8,9-Hexahydrocycloocta(b)thiophene-2-carboxylic acid
| Molecular Formula | C11H14O2S |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 3.1053 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.07146 |
| Heavy Atoms | 14 |
| Complexity | 315.55676 |
Chemical Identifiers
| CAS Number | 40133-09-3 |
|---|---|
| SMILES | C1CCCC2=C(CC1)C=C(S2)C(=O)O |
Product Overview
4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid (CAS 40133-09-3), with molecular formula C11H14O2S and molecular weight 210.07 g/mol. IUPAC: 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylic acid.
Chemical Property Profile of 4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid
Property Insights of 4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid
The XLogP value of 3.1053 indicates that 4H,5H,6H,7H,8H,9H-cycloocta[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, 4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H,5H,6H,7H,8H,9H-cycloocta[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 4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid?
The CAS number of 4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid is 40133-09-3.
What is the molecular formula of 4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid?
The molecular formula of 4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid is C11H14O2S.
What is the molecular weight of 4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid?
The molecular weight of 4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid is 210.07 g/mol.
Where can I buy 4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid?
You can request a quote for 4H,5H,6H,7H,8H,9H-cycloocta[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 4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.