2-(((4-甲基苯基)磺酰基)氧基)乙腈
TL;DR: 2-(((4-甲基苯基)磺酰基)氧基)乙腈 (CAS 14562-04-0) is a chemical compound with molecular formula C9H9NO3S and molecular weight 211.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(((4-甲基苯基)磺酰基)氧基)乙腈
cyanomethyl 4-methylbenzenesulfonate
Also Known As: Cyanomethyl p-toluenesulfonate, cyanomethyl 4-methylbenzenesulfonate, (Tosyloxy)acetonitrile, tosyloxyacetonitrile, cyanomethyl tosylate
| Molecular Formula | C9H9NO3S |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.03032 |
| Heavy Atoms | 14 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 14562-04-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC#N |
| InChIKey | PFXOLUYGXYEFOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(((4-甲基苯基)磺酰基)氧基)乙腈 (CAS 14562-04-0), with molecular formula C9H9NO3S and molecular weight 211.03 g/mol. IUPAC: cyanomethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-(((4-甲基苯基)磺酰基)氧基)乙腈
Property Insights of 2-(((4-甲基苯基)磺酰基)氧基)乙腈
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((4-甲基苯基)磺酰基)氧基)乙腈. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((4-甲基苯基)磺酰基)氧基)乙腈. Following Lipinski's Rule of Five, 2-(((4-甲基苯基)磺酰基)氧基)乙腈 has 0 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 2-(((4-甲基苯基)磺酰基)氧基)乙腈?
The CAS number of 2-(((4-甲基苯基)磺酰基)氧基)乙腈 is 14562-04-0.
What is the molecular formula of 2-(((4-甲基苯基)磺酰基)氧基)乙腈?
The molecular formula of 2-(((4-甲基苯基)磺酰基)氧基)乙腈 is C9H9NO3S.
What is the molecular weight of 2-(((4-甲基苯基)磺酰基)氧基)乙腈?
The molecular weight of 2-(((4-甲基苯基)磺酰基)氧基)乙腈 is 211.03 g/mol.
Where can I buy 2-(((4-甲基苯基)磺酰基)氧基)乙腈?
You can request a quote for 2-(((4-甲基苯基)磺酰基)氧基)乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((4-甲基苯基)磺酰基)氧基)乙腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(((4-甲基苯基)磺酰基)氧基)乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.