2-氰乙基磷酸二氢酯
TL;DR: 2-氰乙基磷酸二氢酯 (CAS 2212-88-6) is a chemical compound with molecular formula C3H6NO4P and molecular weight 151.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氰乙基磷酸二氢酯
2-cyanoethyl dihydrogen phosphate
Also Known As: 2-cyanoethyl dihydrogen phosphate, starbld0008011, (2-cyanoethoxy)phosphonic acid, Propanenitrile,3-(phosphonooxy)-, 2-cyanoethylphosphoric acid
| Molecular Formula | C3H6NO4P |
|---|---|
| Molecular Weight | 151.00 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 151.00345 |
| Heavy Atoms | 9 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 2212-88-6 |
|---|---|
| SMILES | C(COP(=O)(O)O)C#N |
| InChIKey | NJDPBWLDVFCXNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氰乙基磷酸二氢酯 (CAS 2212-88-6), with molecular formula C3H6NO4P and molecular weight 151.00 g/mol. IUPAC: 2-cyanoethyl dihydrogen phosphate.
Chemical Property Profile of 2-氰乙基磷酸二氢酯
Property Insights of 2-氰乙基磷酸二氢酯
The XLogP value of -1.9 indicates that 2-氰乙基磷酸二氢酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氰乙基磷酸二氢酯. Following Lipinski's Rule of Five, 2-氰乙基磷酸二氢酯 has 2 hydrogen bond donor(s) and 5 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-氰乙基磷酸二氢酯?
The CAS number of 2-氰乙基磷酸二氢酯 is 2212-88-6.
What is the molecular formula of 2-氰乙基磷酸二氢酯?
The molecular formula of 2-氰乙基磷酸二氢酯 is C3H6NO4P.
What is the molecular weight of 2-氰乙基磷酸二氢酯?
The molecular weight of 2-氰乙基磷酸二氢酯 is 151.00 g/mol.
Where can I buy 2-氰乙基磷酸二氢酯?
You can request a quote for 2-氰乙基磷酸二氢酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氰乙基磷酸二氢酯?
Yes, KEHONG BIO provides custom synthesis services for 2-氰乙基磷酸二氢酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.