N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine
TL;DR: N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine (CAS 1000-16-4) is a chemical compound with molecular formula C13H30NO3P and molecular weight 279.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine
Also Known As: N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine, diethyl [(dibutylamino)methyl]phosphonate, diethyl (dibutylaminomethyl)phosphonate, Diethyl ((dibutylamino)methyl)phosphonate, Dibutylaminomethylphosphonic acid diethyl ester
| Molecular Formula | C13H30NO3P |
|---|---|
| Molecular Weight | 279.20 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 279.19632 |
| Heavy Atoms | 18 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 1000-16-4 |
|---|---|
| SMILES | CCCCN(CCCC)CP(=O)(OCC)OCC |
| InChIKey | KLZZJTMPJKESRO-UHFFFAOYSA-N |
Product Overview
N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine (CAS 1000-16-4), with molecular formula C13H30NO3P and molecular weight 279.20 g/mol. IUPAC: N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine.
Chemical Property Profile of N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine
Property Insights of N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine. With a topological polar surface area (TPSA) of 38.8 Ų, N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine 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 N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine?
The CAS number of N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine is 1000-16-4.
What is the molecular formula of N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine?
The molecular formula of N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine is C13H30NO3P.
What is the molecular weight of N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine?
The molecular weight of N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine is 279.20 g/mol.
Where can I buy N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine?
You can request a quote for N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-N-(diethoxyphosphorylmethyl)butan-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.