Diethyl dibutylphosphoramidate
TL;DR: Diethyl dibutylphosphoramidate (CAS 67828-17-5) is a chemical compound with molecular formula C12H28NO3P and molecular weight 265.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-N-diethoxyphosphorylbutan-1-amine
Also Known As: Diethyl dibutylphosphoramidate, Diethyl N,N-dibutylphosphoramidate, Phosphoramidic acid, dibutyl-, diethyl ester, Phosphoramidic acid, N,N-dibutyl-, diethyl ester, N,N-Dibutylphosphoramidic acid diethyl ester
| Molecular Formula | C12H28NO3P |
|---|---|
| Molecular Weight | 265.18 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 265.1807 |
| Heavy Atoms | 17 |
| Complexity | 206.0 |
| Boiling Point | 115.0 °C at 3 mmHg |
| Density | 1.015 at 20.1 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | greater than 100.0 °C |
Chemical Identifiers
| CAS Number | 67828-17-5 |
|---|---|
| SMILES | CCCCN(CCCC)P(=O)(OCC)OCC |
| InChIKey | BSZXIHSHPYRELV-UHFFFAOYSA-N |
Product Overview
Diethyl dibutylphosphoramidate (CAS 67828-17-5), with molecular formula C12H28NO3P and molecular weight 265.18 g/mol. IUPAC: N-butyl-N-diethoxyphosphorylbutan-1-amine.
Chemical Property Profile of Diethyl dibutylphosphoramidate
Property Insights of Diethyl dibutylphosphoramidate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl dibutylphosphoramidate. With a topological polar surface area (TPSA) of 38.8 Ų, Diethyl dibutylphosphoramidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl dibutylphosphoramidate has 0 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 dibutylphosphoramidate?
The CAS number of Diethyl dibutylphosphoramidate is 67828-17-5.
What is the molecular formula of Diethyl dibutylphosphoramidate?
The molecular formula of Diethyl dibutylphosphoramidate is C12H28NO3P.
What is the molecular weight of Diethyl dibutylphosphoramidate?
The molecular weight of Diethyl dibutylphosphoramidate is 265.18 g/mol.
Where can I buy Diethyl dibutylphosphoramidate?
You can request a quote for Diethyl dibutylphosphoramidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl dibutylphosphoramidate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl dibutylphosphoramidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.