Phosphorodichloridous acid, 2-cyanoethyl ester
TL;DR: Phosphorodichloridous acid, 2-cyanoethyl ester (CAS 76101-30-9) is a chemical compound with molecular formula C3H4Cl2NOP and molecular weight 170.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-dichlorophosphanyloxypropanenitrile
Also Known As: 2-Cyanoethyl Phosphorodichloridite, CEPDC, beta-Cyanoethyl phosphorodichloridite, 3-dichlorophosphanyloxypropanenitrile, 2-cyanoethyl dichlorophosphinite
| Molecular Formula | C3H4Cl2NOP |
|---|---|
| Molecular Weight | 170.94 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.94075 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 76101-30-9 |
|---|---|
| SMILES | C(COP(Cl)Cl)C#N |
| InChIKey | ZSJQVOIPLQDHCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorodichloridous acid, 2-cyanoethyl ester (CAS 76101-30-9), with molecular formula C3H4Cl2NOP and molecular weight 170.94 g/mol. IUPAC: 3-dichlorophosphanyloxypropanenitrile.
Chemical Property Profile of Phosphorodichloridous acid, 2-cyanoethyl ester
Property Insights of Phosphorodichloridous acid, 2-cyanoethyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorodichloridous acid, 2-cyanoethyl ester. With a topological polar surface area (TPSA) of 33.0 Ų, Phosphorodichloridous acid, 2-cyanoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorodichloridous acid, 2-cyanoethyl ester has 0 hydrogen bond donor(s) and 2 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 Phosphorodichloridous acid, 2-cyanoethyl ester?
The CAS number of Phosphorodichloridous acid, 2-cyanoethyl ester is 76101-30-9.
What is the molecular formula of Phosphorodichloridous acid, 2-cyanoethyl ester?
The molecular formula of Phosphorodichloridous acid, 2-cyanoethyl ester is C3H4Cl2NOP.
What is the molecular weight of Phosphorodichloridous acid, 2-cyanoethyl ester?
The molecular weight of Phosphorodichloridous acid, 2-cyanoethyl ester is 170.94 g/mol.
Where can I buy Phosphorodichloridous acid, 2-cyanoethyl ester?
You can request a quote for Phosphorodichloridous acid, 2-cyanoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorodichloridous acid, 2-cyanoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorodichloridous acid, 2-cyanoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.