3-(苯磺酰基)-2-氯丙腈
TL;DR: 3-(苯磺酰基)-2-氯丙腈 (CAS 1424-50-6) is a chemical compound with molecular formula C9H8ClNO2S and molecular weight 229.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(苯磺酰基)-2-氯丙腈
3-(benzenesulfonyl)-2-chloropropanenitrile
Also Known As: 2-Chloro-3-(phenylsulfonyl)propanenitrile, 3-(benzenesulfonyl)-2-chloropropanenitrile, 2-Chloro-3-(phenylsulfonyl)propionitrile, Propionitrile, 2-chloro-3-(phenylsulfonyl)-, NCI60_005959
| Molecular Formula | C9H8ClNO2S |
|---|---|
| Molecular Weight | 229.00 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.99643 |
| Heavy Atoms | 14 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 1424-50-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC(C#N)Cl |
| InChIKey | IWXBVRBZXCRQEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(苯磺酰基)-2-氯丙腈 (CAS 1424-50-6), with molecular formula C9H8ClNO2S and molecular weight 229.00 g/mol. IUPAC: 3-(benzenesulfonyl)-2-chloropropanenitrile.
Chemical Property Profile of 3-(苯磺酰基)-2-氯丙腈
Property Insights of 3-(苯磺酰基)-2-氯丙腈
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(苯磺酰基)-2-氯丙腈. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(苯磺酰基)-2-氯丙腈. Following Lipinski's Rule of Five, 3-(苯磺酰基)-2-氯丙腈 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-(苯磺酰基)-2-氯丙腈?
The CAS number of 3-(苯磺酰基)-2-氯丙腈 is 1424-50-6.
What is the molecular formula of 3-(苯磺酰基)-2-氯丙腈?
The molecular formula of 3-(苯磺酰基)-2-氯丙腈 is C9H8ClNO2S.
What is the molecular weight of 3-(苯磺酰基)-2-氯丙腈?
The molecular weight of 3-(苯磺酰基)-2-氯丙腈 is 229.00 g/mol.
Where can I buy 3-(苯磺酰基)-2-氯丙腈?
You can request a quote for 3-(苯磺酰基)-2-氯丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(苯磺酰基)-2-氯丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-(苯磺酰基)-2-氯丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.