![5-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid structure](/static/products/901/90111-52-7.png)
5-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid
TL;DR: 5-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid (CAS 90111-52-7) is a chemical compound with molecular formula C8H8O5S and molecular weight 216.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(carboxymethylsulfanylmethyl)furan-2-carboxylic acid
Also Known As: 5-(((Carboxymethyl)thio)methyl)furan-2-carboxylic acid, 5-(carboxymethylsulfanylmethyl)furan-2-carboxylic acid, 5-{[(carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid, 5-{[(carboxymethyl)thio]methyl}-2-furoic acid, Furan-2-carboxylic acid, 5-carboxymethylthiomethyl-
| Molecular Formula | C8H8O5S |
|---|---|
| Molecular Weight | 216.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 216.00925 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 90111-52-7 |
|---|---|
| SMILES | C1=C(OC(=C1)C(=O)O)CSCC(=O)O |
| InChIKey | UDBZYJKNBFOHTQ-UHFFFAOYSA-N |
Product Overview
5-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid (CAS 90111-52-7), with molecular formula C8H8O5S and molecular weight 216.01 g/mol. IUPAC: 5-(carboxymethylsulfanylmethyl)furan-2-carboxylic acid.
Chemical Property Profile of 5-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid
Property Insights of 5-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid. Following Lipinski's Rule of Five, 5-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid has 2 hydrogen bond donor(s) and 6 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-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid?
The CAS number of 5-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid is 90111-52-7.
What is the molecular formula of 5-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid?
The molecular formula of 5-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid is C8H8O5S.
What is the molecular weight of 5-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid?
The molecular weight of 5-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid is 216.01 g/mol.
Where can I buy 5-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid?
You can request a quote for 5-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(Carboxymethyl)sulfanyl]methyl}furan-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.