![3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic Acid structure](/static/products/7130/713087-02-6.webp)
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic Acid
TL;DR: 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic Acid (CAS 713087-02-6) is a chemical compound with molecular formula C16H11ClN2O3S and molecular weight 346.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid
Also Known As: CBKinase1_009120, CBKinase1_021520, BRD-K93769003-001-01-8, 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic Acid, 3-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoic acid
| Molecular Formula | C16H11ClN2O3S |
|---|---|
| Molecular Weight | 346.02 g/mol |
| LogP | 4.3805 |
| Topological Polar Surface Area | 76.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.01788 |
| Heavy Atoms | 23 |
| Complexity | 833.35156 |
Chemical Identifiers
| CAS Number | 713087-02-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)CSC2=NN=C(O2)C3=CC=C(C=C3)Cl |
Product Overview
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic Acid (CAS 713087-02-6), with molecular formula C16H11ClN2O3S and molecular weight 346.02 g/mol. IUPAC: 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid.
Chemical Property Profile of 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic Acid
Property Insights of 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic Acid
The XLogP value of 4.3805 indicates that 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic Acid. Following Lipinski's Rule of Five, 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic 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 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic Acid?
The CAS number of 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic Acid is 713087-02-6.
What is the molecular formula of 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic Acid?
The molecular formula of 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic Acid is C16H11ClN2O3S.
What is the molecular weight of 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic Acid?
The molecular weight of 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic Acid is 346.02 g/mol.
Where can I buy 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic Acid?
You can request a quote for 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]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-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.