2-Thiophenecarboxylic acid, 5-(1-oxobutyl)-
TL;DR: 2-Thiophenecarboxylic acid, 5-(1-oxobutyl)- (CAS 89913-87-1) is a chemical compound with molecular formula C9H10O3S and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butanoylthiophene-2-carboxylic acid
Also Known As: 2-Thiophenecarboxylic acid, 5-(1-oxobutyl)-, 5-butanoylthiophene-2-carboxylic acid, 2-butanoylthiophene-5-carboxylic acid, 2-butanoylthiophene-5-carboxcylic acid, RefChem:267361
| Molecular Formula | C9H10O3S |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.4291 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.03506 |
| Heavy Atoms | 13 |
| Complexity | 327.35574 |
Chemical Identifiers
| CAS Number | 89913-87-1 |
|---|---|
| SMILES | CCCC(=O)C1=CC=C(S1)C(=O)O |
Product Overview
2-Thiophenecarboxylic acid, 5-(1-oxobutyl)- (CAS 89913-87-1), with molecular formula C9H10O3S and molecular weight 198.04 g/mol. IUPAC: 5-butanoylthiophene-2-carboxylic acid.
Chemical Property Profile of 2-Thiophenecarboxylic acid, 5-(1-oxobutyl)-
Property Insights of 2-Thiophenecarboxylic acid, 5-(1-oxobutyl)-
The XLogP value of 2.4291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophenecarboxylic acid, 5-(1-oxobutyl)-. With a topological polar surface area (TPSA) of 54.37 Ų, 2-Thiophenecarboxylic acid, 5-(1-oxobutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiophenecarboxylic acid, 5-(1-oxobutyl)- has 1 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 2-Thiophenecarboxylic acid, 5-(1-oxobutyl)-?
The CAS number of 2-Thiophenecarboxylic acid, 5-(1-oxobutyl)- is 89913-87-1.
What is the molecular formula of 2-Thiophenecarboxylic acid, 5-(1-oxobutyl)-?
The molecular formula of 2-Thiophenecarboxylic acid, 5-(1-oxobutyl)- is C9H10O3S.
What is the molecular weight of 2-Thiophenecarboxylic acid, 5-(1-oxobutyl)-?
The molecular weight of 2-Thiophenecarboxylic acid, 5-(1-oxobutyl)- is 198.04 g/mol.
Where can I buy 2-Thiophenecarboxylic acid, 5-(1-oxobutyl)-?
You can request a quote for 2-Thiophenecarboxylic acid, 5-(1-oxobutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophenecarboxylic acid, 5-(1-oxobutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxylic acid, 5-(1-oxobutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.