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Diethyl [2-(cyclohexylamino)vinyl]phosphonate
TL;DR: Diethyl [2-(cyclohexylamino)vinyl]phosphonate (CAS 20061-84-1) is a chemical compound with molecular formula C12H24NO3P and molecular weight 261.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-diethoxyphosphorylethenyl)cyclohexanamine
Also Known As: Diethyl (2-(cyclohexylamino)vinyl)phosphonate, Diethyl cyclohexylaminovinylphosphate, N-(2-diethoxyphosphorylethenyl)cyclohexanamine, diethyl [2-(cyclohexylamino)ethenyl]phosphonate, Diethyl [2-(cyclohexylamino)vinyl]phosphonate
| Molecular Formula | C12H24NO3P |
|---|---|
| Molecular Weight | 261.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 261.14938 |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 20061-84-1 |
|---|---|
| SMILES | CCOP(=O)(C=CNC1CCCCC1)OCC |
| InChIKey | GCOCYGLSBKOTBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl [2-(cyclohexylamino)vinyl]phosphonate (CAS 20061-84-1), with molecular formula C12H24NO3P and molecular weight 261.15 g/mol. IUPAC: N-(2-diethoxyphosphorylethenyl)cyclohexanamine.
Chemical Property Profile of Diethyl [2-(cyclohexylamino)vinyl]phosphonate
Property Insights of Diethyl [2-(cyclohexylamino)vinyl]phosphonate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl [2-(cyclohexylamino)vinyl]phosphonate. With a topological polar surface area (TPSA) of 47.6 Ų, Diethyl [2-(cyclohexylamino)vinyl]phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl [2-(cyclohexylamino)vinyl]phosphonate has 1 hydrogen bond donor(s) and 4 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 Diethyl [2-(cyclohexylamino)vinyl]phosphonate?
The CAS number of Diethyl [2-(cyclohexylamino)vinyl]phosphonate is 20061-84-1.
What is the molecular formula of Diethyl [2-(cyclohexylamino)vinyl]phosphonate?
The molecular formula of Diethyl [2-(cyclohexylamino)vinyl]phosphonate is C12H24NO3P.
What is the molecular weight of Diethyl [2-(cyclohexylamino)vinyl]phosphonate?
The molecular weight of Diethyl [2-(cyclohexylamino)vinyl]phosphonate is 261.15 g/mol.
Where can I buy Diethyl [2-(cyclohexylamino)vinyl]phosphonate?
You can request a quote for Diethyl [2-(cyclohexylamino)vinyl]phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl [2-(cyclohexylamino)vinyl]phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [2-(cyclohexylamino)vinyl]phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.