2-氯-3-(对甲苯磺酰基)丙腈
TL;DR: 2-氯-3-(对甲苯磺酰基)丙腈 (CAS 16849-81-3) is a chemical compound with molecular formula C10H10ClNO2S and molecular weight 243.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-3-(对甲苯磺酰基)丙腈
2-chloro-3-(4-methylphenyl)sulfonylpropanenitrile
Also Known As: 2-Chloro-3-(p-tolylsulfonyl)propionitrile, Propionitrile, 2-chloro-3-(p-tolylsulfonyl)-, 2-chloro-3-(4-methylphenyl)sulfonylpropanenitrile, Propionitrile, 2-chloro-3-[(4-methylphenyl)sulfonyl]-, 2-Chloro-3-(4-methylbenzene-1-sulfonyl)propanenitrile
| Molecular Formula | C10H10ClNO2S |
|---|---|
| Molecular Weight | 243.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.01208 |
| Heavy Atoms | 15 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 16849-81-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(C#N)Cl |
| InChIKey | KBYXUMBHNAGPSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-3-(对甲苯磺酰基)丙腈 (CAS 16849-81-3), with molecular formula C10H10ClNO2S and molecular weight 243.01 g/mol. IUPAC: 2-chloro-3-(4-methylphenyl)sulfonylpropanenitrile.
Chemical Property Profile of 2-氯-3-(对甲苯磺酰基)丙腈
Property Insights of 2-氯-3-(对甲苯磺酰基)丙腈
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-3-(对甲苯磺酰基)丙腈. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氯-3-(对甲苯磺酰基)丙腈. Following Lipinski's Rule of Five, 2-氯-3-(对甲苯磺酰基)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 2-氯-3-(对甲苯磺酰基)丙腈?
The CAS number of 2-氯-3-(对甲苯磺酰基)丙腈 is 16849-81-3.
What is the molecular formula of 2-氯-3-(对甲苯磺酰基)丙腈?
The molecular formula of 2-氯-3-(对甲苯磺酰基)丙腈 is C10H10ClNO2S.
What is the molecular weight of 2-氯-3-(对甲苯磺酰基)丙腈?
The molecular weight of 2-氯-3-(对甲苯磺酰基)丙腈 is 243.01 g/mol.
Where can I buy 2-氯-3-(对甲苯磺酰基)丙腈?
You can request a quote for 2-氯-3-(对甲苯磺酰基)丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-3-(对甲苯磺酰基)丙腈?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-3-(对甲苯磺酰基)丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.