苯磺酰乙腈
TL;DR: 苯磺酰乙腈 (CAS 7605-28-9) is a chemical compound with molecular formula C8H7NO2S and molecular weight 181.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯磺酰乙腈
2-(benzenesulfonyl)acetonitrile
Also Known As: (Phenylsulfonyl)acetonitrile, Benzenesulfonylacetonitrile, PHENYLSULFONYLACETONITRILE, 2-(Phenylsulfonyl)acetonitrile, 2-(benzenesulfonyl)acetonitrile
| Molecular Formula | C8H7NO2S |
|---|---|
| Molecular Weight | 181.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.01974 |
| Heavy Atoms | 12 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 7605-28-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC#N |
| InChIKey | ZFCFFNGBCVAUDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯磺酰乙腈 (CAS 7605-28-9), with molecular formula C8H7NO2S and molecular weight 181.02 g/mol. IUPAC: 2-(benzenesulfonyl)acetonitrile.
Chemical Property Profile of 苯磺酰乙腈
Property Insights of 苯磺酰乙腈
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯磺酰乙腈. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯磺酰乙腈. Following Lipinski's Rule of Five, 苯磺酰乙腈 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 苯磺酰乙腈?
The CAS number of 苯磺酰乙腈 is 7605-28-9.
What is the molecular formula of 苯磺酰乙腈?
The molecular formula of 苯磺酰乙腈 is C8H7NO2S.
What is the molecular weight of 苯磺酰乙腈?
The molecular weight of 苯磺酰乙腈 is 181.02 g/mol.
Where can I buy 苯磺酰乙腈?
You can request a quote for 苯磺酰乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯磺酰乙腈?
Yes, KEHONG BIO provides custom synthesis services for 苯磺酰乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.