![Diethyl {[4-(aminomethyl)phenyl]methyl}phosphonate structure](/static/products/930/93041-76-0.png)
Diethyl {[4-(aminomethyl)phenyl]methyl}phosphonate
TL;DR: Diethyl {[4-(aminomethyl)phenyl]methyl}phosphonate (CAS 93041-76-0) is a chemical compound with molecular formula C12H20NO3P and molecular weight 257.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(diethoxyphosphorylmethyl)phenyl]methanamine
Also Known As: [4-(diethoxyphosphorylmethyl)phenyl]methanamine|Diethyl 4-(aminomethyl)benzylphosphonate|Diethyl {[4-(aminomethyl)phenyl]methyl}phosphonate
| Molecular Formula | C12H20NO3P |
|---|---|
| Molecular Weight | 257.12 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 257.11807 |
| Heavy Atoms | 17 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 93041-76-0 |
|---|---|
| SMILES | CCOP(=O)(CC1=CC=C(C=C1)CN)OCC |
| InChIKey | XPOIKMLBIZHKSL-UHFFFAOYSA-N |
Product Overview
Diethyl {[4-(aminomethyl)phenyl]methyl}phosphonate (CAS 93041-76-0), with molecular formula C12H20NO3P and molecular weight 257.12 g/mol. IUPAC: [4-(diethoxyphosphorylmethyl)phenyl]methanamine.
Chemical Property Profile of Diethyl {[4-(aminomethyl)phenyl]methyl}phosphonate
Property Insights of Diethyl {[4-(aminomethyl)phenyl]methyl}phosphonate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl {[4-(aminomethyl)phenyl]methyl}phosphonate. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl {[4-(aminomethyl)phenyl]methyl}phosphonate. Following Lipinski's Rule of Five, Diethyl {[4-(aminomethyl)phenyl]methyl}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 {[4-(aminomethyl)phenyl]methyl}phosphonate?
The CAS number of Diethyl {[4-(aminomethyl)phenyl]methyl}phosphonate is 93041-76-0.
What is the molecular formula of Diethyl {[4-(aminomethyl)phenyl]methyl}phosphonate?
The molecular formula of Diethyl {[4-(aminomethyl)phenyl]methyl}phosphonate is C12H20NO3P.
What is the molecular weight of Diethyl {[4-(aminomethyl)phenyl]methyl}phosphonate?
The molecular weight of Diethyl {[4-(aminomethyl)phenyl]methyl}phosphonate is 257.12 g/mol.
Where can I buy Diethyl {[4-(aminomethyl)phenyl]methyl}phosphonate?
You can request a quote for Diethyl {[4-(aminomethyl)phenyl]methyl}phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl {[4-(aminomethyl)phenyl]methyl}phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl {[4-(aminomethyl)phenyl]methyl}phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.