![4-[(Sec-butylsulfanyl)methyl]-5-methyl-2-furoic acid structure](/static/products/3321/332143-76-7.webp)
4-[(Sec-butylsulfanyl)methyl]-5-methyl-2-furoic acid
TL;DR: 4-[(Sec-butylsulfanyl)methyl]-5-methyl-2-furoic acid (CAS 332143-76-7) is a chemical compound with molecular formula C11H16O3S and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(butan-2-ylsulfanylmethyl)-5-methylfuran-2-carboxylic acid
Also Known As: ChemDiv2_002293, BAS 01172601, 4-[(SEC-BUTYLSULFANYL)METHYL]-5-METHYL-2-FUROIC ACID, 4-((sec-Butylthio)methyl)-5-methylfuran-2-carboxylic acid, 4-[(SEC-BUTYLSULFANYL)METHYL]-5-METHYL-2-FUROICACID
| Molecular Formula | C11H16O3S |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 3.31792 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.08202 |
| Heavy Atoms | 15 |
| Complexity | 343.60226 |
Chemical Identifiers
| CAS Number | 332143-76-7 |
|---|---|
| SMILES | CCC(C)SCC1=C(OC(=C1)C(=O)O)C |
Product Overview
4-[(Sec-butylsulfanyl)methyl]-5-methyl-2-furoic acid (CAS 332143-76-7), with molecular formula C11H16O3S and molecular weight 228.08 g/mol. IUPAC: 4-(butan-2-ylsulfanylmethyl)-5-methylfuran-2-carboxylic acid.
Chemical Property Profile of 4-[(Sec-butylsulfanyl)methyl]-5-methyl-2-furoic acid
Property Insights of 4-[(Sec-butylsulfanyl)methyl]-5-methyl-2-furoic acid
The XLogP value of 3.31792 indicates that 4-[(Sec-butylsulfanyl)methyl]-5-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, 4-[(Sec-butylsulfanyl)methyl]-5-methyl-2-furoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(Sec-butylsulfanyl)methyl]-5-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 4-[(Sec-butylsulfanyl)methyl]-5-methyl-2-furoic acid?
The CAS number of 4-[(Sec-butylsulfanyl)methyl]-5-methyl-2-furoic acid is 332143-76-7.
What is the molecular formula of 4-[(Sec-butylsulfanyl)methyl]-5-methyl-2-furoic acid?
The molecular formula of 4-[(Sec-butylsulfanyl)methyl]-5-methyl-2-furoic acid is C11H16O3S.
What is the molecular weight of 4-[(Sec-butylsulfanyl)methyl]-5-methyl-2-furoic acid?
The molecular weight of 4-[(Sec-butylsulfanyl)methyl]-5-methyl-2-furoic acid is 228.08 g/mol.
Where can I buy 4-[(Sec-butylsulfanyl)methyl]-5-methyl-2-furoic acid?
You can request a quote for 4-[(Sec-butylsulfanyl)methyl]-5-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 4-[(Sec-butylsulfanyl)methyl]-5-methyl-2-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Sec-butylsulfanyl)methyl]-5-methyl-2-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.