3-Dibutoxyphosphorylpropanenitrile
TL;DR: 3-Dibutoxyphosphorylpropanenitrile (CAS 20580-37-4) is a chemical compound with molecular formula C11H22NO3P and molecular weight 247.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-dibutoxyphosphorylpropanenitrile
Also Known As: 3-dibutoxyphosphorylpropanenitrile, dibutyl(2-cyanoethyl)phosphonate, Dibutyl (2-cyanoethyl)phosphonate, Dibutyl 2-cyanoethanephosphonate, NIOSH/KI6540000
| Molecular Formula | C11H22NO3P |
|---|---|
| Molecular Weight | 247.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 247.13373 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 20580-37-4 |
|---|---|
| SMILES | CCCCOP(=O)(CCC#N)OCCCC |
| InChIKey | HMXGWEUXTBKBFB-UHFFFAOYSA-N |
Product Overview
3-Dibutoxyphosphorylpropanenitrile (CAS 20580-37-4), with molecular formula C11H22NO3P and molecular weight 247.13 g/mol. IUPAC: 3-dibutoxyphosphorylpropanenitrile.
Chemical Property Profile of 3-Dibutoxyphosphorylpropanenitrile
Property Insights of 3-Dibutoxyphosphorylpropanenitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Dibutoxyphosphorylpropanenitrile. With a topological polar surface area (TPSA) of 59.3 Ų, 3-Dibutoxyphosphorylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Dibutoxyphosphorylpropanenitrile 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 3-Dibutoxyphosphorylpropanenitrile?
The CAS number of 3-Dibutoxyphosphorylpropanenitrile is 20580-37-4.
What is the molecular formula of 3-Dibutoxyphosphorylpropanenitrile?
The molecular formula of 3-Dibutoxyphosphorylpropanenitrile is C11H22NO3P.
What is the molecular weight of 3-Dibutoxyphosphorylpropanenitrile?
The molecular weight of 3-Dibutoxyphosphorylpropanenitrile is 247.13 g/mol.
Where can I buy 3-Dibutoxyphosphorylpropanenitrile?
You can request a quote for 3-Dibutoxyphosphorylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Dibutoxyphosphorylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Dibutoxyphosphorylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.