3-(4-叔丁基苯基)磺酰基-2-丙烯腈
TL;DR: 3-(4-叔丁基苯基)磺酰基-2-丙烯腈 (CAS 196309-76-9) is a chemical compound with molecular formula C13H15NO2S and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-叔丁基苯基)磺酰基-2-丙烯腈
3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile
Also Known As: bay 11-7085, Lopac0_000183, (E)-3-(4-tert-butylphenylsulfonyl)acrylonitrile, 3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile, (E)-3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile
| Molecular Formula | C13H15NO2S |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.08235 |
| Heavy Atoms | 17 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 196309-76-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C=CC#N |
| InChIKey | VHKZGNPOHPFPER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-叔丁基苯基)磺酰基-2-丙烯腈 (CAS 196309-76-9), with molecular formula C13H15NO2S and molecular weight 249.08 g/mol. IUPAC: 3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of 3-(4-叔丁基苯基)磺酰基-2-丙烯腈
Property Insights of 3-(4-叔丁基苯基)磺酰基-2-丙烯腈
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-叔丁基苯基)磺酰基-2-丙烯腈. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-叔丁基苯基)磺酰基-2-丙烯腈. Following Lipinski's Rule of Five, 3-(4-叔丁基苯基)磺酰基-2-丙烯腈 has 0 hydrogen bond donor(s) and 3 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-(4-叔丁基苯基)磺酰基-2-丙烯腈?
The CAS number of 3-(4-叔丁基苯基)磺酰基-2-丙烯腈 is 196309-76-9.
What is the molecular formula of 3-(4-叔丁基苯基)磺酰基-2-丙烯腈?
The molecular formula of 3-(4-叔丁基苯基)磺酰基-2-丙烯腈 is C13H15NO2S.
What is the molecular weight of 3-(4-叔丁基苯基)磺酰基-2-丙烯腈?
The molecular weight of 3-(4-叔丁基苯基)磺酰基-2-丙烯腈 is 249.08 g/mol.
Where can I buy 3-(4-叔丁基苯基)磺酰基-2-丙烯腈?
You can request a quote for 3-(4-叔丁基苯基)磺酰基-2-丙烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-叔丁基苯基)磺酰基-2-丙烯腈?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-叔丁基苯基)磺酰基-2-丙烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.