![3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid structure](/static/products/6047/604740-31-0.webp)
3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid
TL;DR: 3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid (CAS 604740-31-0) is a chemical compound with molecular formula C14H10N4O3S and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid
Also Known As: Benzoicacid,3-[[ thio]methyl]-, 3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic Acid, 3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid, Benzoic acid, 3-[[(5-pyrazinyl-1,3,4-oxadiazol-2-yl)thio]methyl]- (9CI), BENZOIC ACID, 3-[[(5-PYRAZINYL-1,3,4-OXADIAZOL-2-YL)THIO]METHYL]-
| Molecular Formula | C14H10N4O3S |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 2.5171 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.04736 |
| Heavy Atoms | 22 |
| Complexity | 791.54675 |
Chemical Identifiers
| CAS Number | 604740-31-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)CSC2=NN=C(O2)C3=NC=CN=C3 |
Product Overview
3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid (CAS 604740-31-0), with molecular formula C14H10N4O3S and molecular weight 314.05 g/mol. IUPAC: 3-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoic acid.
Chemical Property Profile of 3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid
Property Insights of 3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid
The XLogP value of 2.5171 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid. Following Lipinski's Rule of Five, 3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid has 1 hydrogen bond donor(s) and 7 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 3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid?
The CAS number of 3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid is 604740-31-0.
What is the molecular formula of 3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid?
The molecular formula of 3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid is C14H10N4O3S.
What is the molecular weight of 3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid?
The molecular weight of 3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid is 314.05 g/mol.
Where can I buy 3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid?
You can request a quote for 3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[5-(2-Pyrazinyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.