NCI60_025459
TL;DR: NCI60_025459 (CAS 330944-06-4) is a chemical compound with molecular formula C14H24F6NO5P and molecular weight 431.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-[bis(2-methylpropoxy)phosphoryl]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
Also Known As: NCI60_025459, diisobutyl [1-[(ethoxycarbonyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phosphonate, Diisobutyl 1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylphosphonate, ethyl N-[2-[bis(2-methylpropoxy)phosphoryl]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate, ethyl N-[1-diisobutoxyphosphoryl-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]carbamate
| Molecular Formula | C14H24F6NO5P |
|---|---|
| Molecular Weight | 431.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 431.12964 |
| Heavy Atoms | 27 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 330944-06-4 |
|---|---|
| SMILES | CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C |
| InChIKey | VNGFAWSISVJGAU-UHFFFAOYSA-N |
Product Overview
NCI60_025459 (CAS 330944-06-4), with molecular formula C14H24F6NO5P and molecular weight 431.13 g/mol. IUPAC: ethyl N-[2-[bis(2-methylpropoxy)phosphoryl]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate.
Chemical Property Profile of NCI60_025459
Property Insights of NCI60_025459
The XLogP value of 4.4 indicates that NCI60_025459 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_025459. Following Lipinski's Rule of Five, NCI60_025459 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_025459?
The CAS number of NCI60_025459 is 330944-06-4.
What is the molecular formula of NCI60_025459?
The molecular formula of NCI60_025459 is C14H24F6NO5P.
What is the molecular weight of NCI60_025459?
The molecular weight of NCI60_025459 is 431.13 g/mol.
Where can I buy NCI60_025459?
You can request a quote for NCI60_025459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_025459?
Yes, KEHONG BIO provides custom synthesis services for NCI60_025459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.