![5-[(Benzylsulfonyl)methyl]-2-furoic acid structure](/static/products/1003/100397-64-6.webp)
5-[(Benzylsulfonyl)methyl]-2-furoic acid
TL;DR: 5-[(Benzylsulfonyl)methyl]-2-furoic acid (CAS 100397-64-6) is a chemical compound with molecular formula C13H12O5S and molecular weight 280.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzylsulfonylmethyl)furan-2-carboxylic acid
Also Known As: starbld0014621, 5-[(benzylsulfonyl)methyl]-2-furoic acid, 5-(benzylsulfonylmethyl)furan-2-carboxylic Acid, 5-((benzylsulfonyl)methyl)furan-2-carboxylic acid, 5-Phenylmethanesulfonylmethyl-furan-2-carboxylic acid
| Molecular Formula | C13H12O5S |
|---|---|
| Molecular Weight | 280.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 93.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.04056 |
| Heavy Atoms | 19 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 100397-64-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)CC2=CC=C(O2)C(=O)O |
| InChIKey | GWWKGHAUSZQDIX-UHFFFAOYSA-N |
Product Overview
5-[(Benzylsulfonyl)methyl]-2-furoic acid (CAS 100397-64-6), with molecular formula C13H12O5S and molecular weight 280.04 g/mol. IUPAC: 5-(benzylsulfonylmethyl)furan-2-carboxylic acid.
Chemical Property Profile of 5-[(Benzylsulfonyl)methyl]-2-furoic acid
Property Insights of 5-[(Benzylsulfonyl)methyl]-2-furoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(Benzylsulfonyl)methyl]-2-furoic acid. The TPSA of 93.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(Benzylsulfonyl)methyl]-2-furoic acid. Following Lipinski's Rule of Five, 5-[(Benzylsulfonyl)methyl]-2-furoic acid has 1 hydrogen bond donor(s) and 5 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-[(Benzylsulfonyl)methyl]-2-furoic acid?
The CAS number of 5-[(Benzylsulfonyl)methyl]-2-furoic acid is 100397-64-6.
What is the molecular formula of 5-[(Benzylsulfonyl)methyl]-2-furoic acid?
The molecular formula of 5-[(Benzylsulfonyl)methyl]-2-furoic acid is C13H12O5S.
What is the molecular weight of 5-[(Benzylsulfonyl)methyl]-2-furoic acid?
The molecular weight of 5-[(Benzylsulfonyl)methyl]-2-furoic acid is 280.04 g/mol.
Where can I buy 5-[(Benzylsulfonyl)methyl]-2-furoic acid?
You can request a quote for 5-[(Benzylsulfonyl)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-[(Benzylsulfonyl)methyl]-2-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Benzylsulfonyl)methyl]-2-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.