4-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid
TL;DR: 4-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid (CAS 312519-76-9) is a chemical compound with molecular formula C13H12O3S and molecular weight 248.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-ylmethylsulfanylmethyl)benzoic acid
Also Known As: 4- -benzoicacid, 4-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid, 4-(furan-2-ylmethylsulfanylmethyl)benzoic acid, TIMTEC-BB SBB000877, 4-([(2-Furylmethyl)thio]methyl)benzoic acid
| Molecular Formula | C13H12O3S |
|---|---|
| Molecular Weight | 248.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.05072 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 312519-76-9 |
|---|---|
| SMILES | C1=COC(=C1)CSCC2=CC=C(C=C2)C(=O)O |
| InChIKey | YKWFODPJEKPJPA-UHFFFAOYSA-N |
Product Overview
4-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid (CAS 312519-76-9), with molecular formula C13H12O3S and molecular weight 248.05 g/mol. IUPAC: 4-(furan-2-ylmethylsulfanylmethyl)benzoic acid.
Chemical Property Profile of 4-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid
Property Insights of 4-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid. Following Lipinski's Rule of Five, 4-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid has 1 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-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid?
The CAS number of 4-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid is 312519-76-9.
What is the molecular formula of 4-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid?
The molecular formula of 4-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid is C13H12O3S.
What is the molecular weight of 4-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid?
The molecular weight of 4-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid is 248.05 g/mol.
Where can I buy 4-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid?
You can request a quote for 4-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Furan-2-ylmethylsulfanylmethyl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.