Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate
TL;DR: Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate (CAS 69907-49-9) is a chemical compound with molecular formula C14H20N3O3P and molecular weight 309.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5-diethoxyphosphorylimidazol-4-amine
Also Known As: 3-benzyl-5-diethoxyphosphorylimidazol-4-amine, 3-benzyl-5-diethoxyphosphoryl-imidazol-4-amine, Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate
| Molecular Formula | C14H20N3O3P |
|---|---|
| Molecular Weight | 309.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 79.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 309.12424 |
| Heavy Atoms | 21 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 69907-49-9 |
|---|---|
| SMILES | CCOP(=O)(C1=C(N(C=N1)CC2=CC=CC=C2)N)OCC |
| InChIKey | QUIDMROFUKBSGH-UHFFFAOYSA-N |
Product Overview
Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate (CAS 69907-49-9), with molecular formula C14H20N3O3P and molecular weight 309.12 g/mol. IUPAC: 3-benzyl-5-diethoxyphosphorylimidazol-4-amine.
Chemical Property Profile of Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate
Property Insights of Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate. Following Lipinski's Rule of Five, Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate has 1 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 Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate?
The CAS number of Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate is 69907-49-9.
What is the molecular formula of Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate?
The molecular formula of Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate is C14H20N3O3P.
What is the molecular weight of Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate?
The molecular weight of Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate is 309.12 g/mol.
Where can I buy Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate?
You can request a quote for Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (5-amino-1-benzyl-1H-imidazol-4-yl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.