![4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID structure](/static/products/4620/462075-93-0.webp)
4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID
TL;DR: 4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID (CAS 462075-93-0) 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-(butylsulfanylmethyl)-5-methylfuran-2-carboxylic acid
Also Known As: 4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID, CHEMBRDG-BB 5925680, 4-(butylsulfanylmethyl)-5-methylfuran-2-carboxylic acid, 4-butylthiomethyl-5-methyl-2-furoic acid, 4-(Butylthio)methyl-5-methyl-2-furoic Acid
| Molecular Formula | C11H16O3S |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 3.31952 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.08202 |
| Heavy Atoms | 15 |
| Complexity | 330.57407 |
Chemical Identifiers
| CAS Number | 462075-93-0 |
|---|---|
| SMILES | CCCCSCC1=C(OC(=C1)C(=O)O)C |
Product Overview
4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID (CAS 462075-93-0), with molecular formula C11H16O3S and molecular weight 228.08 g/mol. IUPAC: 4-(butylsulfanylmethyl)-5-methylfuran-2-carboxylic acid.
Chemical Property Profile of 4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID
Property Insights of 4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID
The XLogP value of 3.31952 indicates that 4-[(BUTYLTHIO)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-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(BUTYLTHIO)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-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID?
The CAS number of 4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID is 462075-93-0.
What is the molecular formula of 4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID?
The molecular formula of 4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID is C11H16O3S.
What is the molecular weight of 4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID?
The molecular weight of 4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID is 228.08 g/mol.
Where can I buy 4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID?
You can request a quote for 4-[(BUTYLTHIO)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-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID?
Yes, KEHONG BIO provides custom synthesis services for 4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.