2,2,3-三氯丙腈
TL;DR: 2,2,3-三氯丙腈 (CAS 813-74-1) is a chemical compound with molecular formula C3H2Cl3N and molecular weight 156.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3-三氯丙腈
2,2,3-trichloropropanenitrile
Also Known As: 2,2,3-Trichloropropionitrile, Trichloropropionitrile, Glycocycline, 2,2,3-Trichloropropanenitrile, Propionitrile, trichloro-
| Molecular Formula | C3H2Cl3N |
|---|---|
| Molecular Weight | 156.93 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.92528 |
| Heavy Atoms | 7 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 813-74-1 |
|---|---|
| SMILES | C(C(C#N)(Cl)Cl)Cl |
| InChIKey | XMVOGXZDRUZXAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,3-三氯丙腈 (CAS 813-74-1), with molecular formula C3H2Cl3N and molecular weight 156.93 g/mol. IUPAC: 2,2,3-trichloropropanenitrile.
Chemical Property Profile of 2,2,3-三氯丙腈
Property Insights of 2,2,3-三氯丙腈
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,3-三氯丙腈. With a topological polar surface area (TPSA) of 23.8 Ų, 2,2,3-三氯丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3-三氯丙腈 has 0 hydrogen bond donor(s) and 1 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 2,2,3-三氯丙腈?
The CAS number of 2,2,3-三氯丙腈 is 813-74-1.
What is the molecular formula of 2,2,3-三氯丙腈?
The molecular formula of 2,2,3-三氯丙腈 is C3H2Cl3N.
What is the molecular weight of 2,2,3-三氯丙腈?
The molecular weight of 2,2,3-三氯丙腈 is 156.93 g/mol.
Where can I buy 2,2,3-三氯丙腈?
You can request a quote for 2,2,3-三氯丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3-三氯丙腈?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3-三氯丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.