![4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid structure](/static/products/3333/333352-55-9.webp)
4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid
TL;DR: 4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid (CAS 333352-55-9) is a chemical compound with molecular formula C10H12O5S and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-carboxyethylsulfanylmethyl)-5-methylfuran-2-carboxylic acid
Also Known As: CBKinase1_000893, CBKinase1_013293, Benzamide,4-ethoxy-N-propyl, 4-{[(1-CARBOXYETHYL)SULFANYL]METHYL}-5-METHYL-2-FUROIC ACID, BAS 00790388
| Molecular Formula | C10H12O5S |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 1.99252 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.04054 |
| Heavy Atoms | 16 |
| Complexity | 409.34192 |
Chemical Identifiers
| CAS Number | 333352-55-9 |
|---|---|
| SMILES | CC1=C(C=C(O1)C(=O)O)CSC(C)C(=O)O |
Product Overview
4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid (CAS 333352-55-9), with molecular formula C10H12O5S and molecular weight 244.04 g/mol. IUPAC: 4-(1-carboxyethylsulfanylmethyl)-5-methylfuran-2-carboxylic acid.
Chemical Property Profile of 4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid
Property Insights of 4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid
The XLogP value of 1.99252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid. Following Lipinski's Rule of Five, 4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid has 2 hydrogen bond donor(s) and 4 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-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid?
The CAS number of 4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid is 333352-55-9.
What is the molecular formula of 4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid?
The molecular formula of 4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid is C10H12O5S.
What is the molecular weight of 4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid?
The molecular weight of 4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid is 244.04 g/mol.
Where can I buy 4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid?
You can request a quote for 4-{[(1-Carboxyethyl)sulfanyl]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-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(1-Carboxyethyl)sulfanyl]methyl}-5-methyl-2-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.