2-(1,3,4-Oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate
TL;DR: 2-(1,3,4-Oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate (CAS 240115-63-3) is a chemical compound with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3,4-oxadiazol-2-yl)phenyl] 4-methylbenzenesulfonate
Also Known As: 2-(1,3,4-oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate, 2-(1,3,4-oxadiazol-2-yl)phenyl 4-methylbenzene-1-sulfonate, [2-(1,3,4-oxadiazol-2-yl)phenyl] 4-methylbenzenesulfonate, 10A-008, 2-(1,3,4-oxadiazol-2-yl)phenyl4-methylbenzene-1-sulfonate
| Molecular Formula | C15H12N2O4S |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 2.81272 |
| Topological Polar Surface Area | 82.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0518 |
| Heavy Atoms | 22 |
| Complexity | 872.1706 |
Chemical Identifiers
| CAS Number | 240115-63-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3=NN=CO3 |
Product Overview
2-(1,3,4-Oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate (CAS 240115-63-3), with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol. IUPAC: [2-(1,3,4-oxadiazol-2-yl)phenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of 2-(1,3,4-Oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate
Property Insights of 2-(1,3,4-Oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate
The XLogP value of 2.81272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3,4-Oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate. The TPSA of 82.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3,4-Oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-(1,3,4-Oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 6 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 2-(1,3,4-Oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate?
The CAS number of 2-(1,3,4-Oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate is 240115-63-3.
What is the molecular formula of 2-(1,3,4-Oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate?
The molecular formula of 2-(1,3,4-Oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate is C15H12N2O4S.
What is the molecular weight of 2-(1,3,4-Oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate?
The molecular weight of 2-(1,3,4-Oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate is 316.05 g/mol.
Where can I buy 2-(1,3,4-Oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate?
You can request a quote for 2-(1,3,4-Oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3,4-Oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3,4-Oxadiazol-2-yl)phenyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.