![5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid structure](/static/products/6643/664321-11-3.webp)
5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid
TL;DR: 5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid (CAS 664321-11-3) is a chemical compound with molecular formula C14H22O3S and molecular weight 270.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-4-(butylsulfanylmethyl)furan-2-carboxylic acid
Also Known As: 5-tert-butyl-4-[(butylthio)methyl]-2-furoic acid, AH-487/41935856, 5-tert-butyl-4-[(butylsulfanyl)methyl]-2-furoic acid, 5-tert-butyl-4-(butylsulfanylmethyl)furan-2-carboxylic acid, 5-tert-butyl-4-[(butylsulfanyl)methyl]furan-2-carboxylic acid
| Molecular Formula | C14H22O3S |
|---|---|
| Molecular Weight | 270.13 g/mol |
| LogP | 4.3086 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.12897 |
| Heavy Atoms | 18 |
| Complexity | 401.66187 |
Chemical Identifiers
| CAS Number | 664321-11-3 |
|---|---|
| SMILES | CCCCSCC1=C(OC(=C1)C(=O)O)C(C)(C)C |
Product Overview
5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid (CAS 664321-11-3), with molecular formula C14H22O3S and molecular weight 270.13 g/mol. IUPAC: 5-tert-butyl-4-(butylsulfanylmethyl)furan-2-carboxylic acid.
Chemical Property Profile of 5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid
Property Insights of 5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid
The XLogP value of 4.3086 indicates that 5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, 5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid 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 5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid?
The CAS number of 5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid is 664321-11-3.
What is the molecular formula of 5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid?
The molecular formula of 5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid is C14H22O3S.
What is the molecular weight of 5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid?
The molecular weight of 5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid is 270.13 g/mol.
Where can I buy 5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid?
You can request a quote for 5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Tert-butyl-4-[(butylthio)methyl]-2-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.