![5-[(Phenylsulfanyl)methyl]furan-2-carboxylic acid structure](/static/products/795/79504-96-4.png)
5-[(Phenylsulfanyl)methyl]furan-2-carboxylic acid
TL;DR: 5-[(Phenylsulfanyl)methyl]furan-2-carboxylic acid (CAS 79504-96-4) is a chemical compound with molecular formula C12H10O3S and molecular weight 234.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(phenylsulfanylmethyl)furan-2-carboxylic acid
Also Known As: 5-[(phenylthio)methyl]-2-furoic acid, 5-(phenylsulfanylmethyl)furan-2-carboxylic Acid, 5-((phenylthio)methyl)furan-2-carboxylic acid, 5-[(phenylsulfanyl)methyl]furan-2-carboxylic acid, 5-[(phenylsulfanyl)methyl]-2-furoic acid
| Molecular Formula | C12H10O3S |
|---|---|
| Molecular Weight | 234.04 g/mol |
| LogP | 3.2701 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.03506 |
| Heavy Atoms | 16 |
| Complexity | 476.01892 |
Chemical Identifiers
| CAS Number | 79504-96-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC2=CC=C(O2)C(=O)O |
Product Overview
5-[(Phenylsulfanyl)methyl]furan-2-carboxylic acid (CAS 79504-96-4), with molecular formula C12H10O3S and molecular weight 234.04 g/mol. IUPAC: 5-(phenylsulfanylmethyl)furan-2-carboxylic acid.
Chemical Property Profile of 5-[(Phenylsulfanyl)methyl]furan-2-carboxylic acid
Property Insights of 5-[(Phenylsulfanyl)methyl]furan-2-carboxylic acid
The XLogP value of 3.2701 indicates that 5-[(Phenylsulfanyl)methyl]furan-2-carboxylic 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, 5-[(Phenylsulfanyl)methyl]furan-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(Phenylsulfanyl)methyl]furan-2-carboxylic 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 5-[(Phenylsulfanyl)methyl]furan-2-carboxylic acid?
The CAS number of 5-[(Phenylsulfanyl)methyl]furan-2-carboxylic acid is 79504-96-4.
What is the molecular formula of 5-[(Phenylsulfanyl)methyl]furan-2-carboxylic acid?
The molecular formula of 5-[(Phenylsulfanyl)methyl]furan-2-carboxylic acid is C12H10O3S.
What is the molecular weight of 5-[(Phenylsulfanyl)methyl]furan-2-carboxylic acid?
The molecular weight of 5-[(Phenylsulfanyl)methyl]furan-2-carboxylic acid is 234.04 g/mol.
Where can I buy 5-[(Phenylsulfanyl)methyl]furan-2-carboxylic acid?
You can request a quote for 5-[(Phenylsulfanyl)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-[(Phenylsulfanyl)methyl]furan-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Phenylsulfanyl)methyl]furan-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.