NCI60_035662
TL;DR: NCI60_035662 (CAS 907958-43-4) is a chemical compound with molecular formula C26H51F2O6P and molecular weight 528.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-diethoxyphosphoryl-4,4-difluoro-1-hexadecoxybutan-2-yl) acetate
Also Known As: NCI60_035662, (4-diethoxyphosphoryl-4,4-difluoro-1-hexadecoxybutan-2-yl) acetate, Phosphonic acid, [3-(acetyloxy)-1,1-difluoro-4-(hexadecyloxy)butyl]-, diethyl ester, [3-diethoxyphosphoryl-3,3-difluoro-1-(hexadecoxymethyl)propyl] acetate, 4-(Diethoxyphosphoryl)-4,4-difluoro-1-(hexadecyloxy)butan-2-yl acetate
| Molecular Formula | C26H51F2O6P |
|---|---|
| Molecular Weight | 528.34 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 26 |
| Exact Mass | 528.3391 |
| Heavy Atoms | 35 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 907958-43-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOCC(CC(F)(F)P(=O)(OCC)OCC)OC(=O)C |
| InChIKey | MLFKJPLMVKLDCA-UHFFFAOYSA-N |
Product Overview
NCI60_035662 (CAS 907958-43-4), with molecular formula C26H51F2O6P and molecular weight 528.34 g/mol. IUPAC: (4-diethoxyphosphoryl-4,4-difluoro-1-hexadecoxybutan-2-yl) acetate.
Chemical Property Profile of NCI60_035662
Property Insights of NCI60_035662
The XLogP value of 8.9 indicates that NCI60_035662 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_035662. Following Lipinski's Rule of Five, NCI60_035662 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_035662?
The CAS number of NCI60_035662 is 907958-43-4.
What is the molecular formula of NCI60_035662?
The molecular formula of NCI60_035662 is C26H51F2O6P.
What is the molecular weight of NCI60_035662?
The molecular weight of NCI60_035662 is 528.34 g/mol.
Where can I buy NCI60_035662?
You can request a quote for NCI60_035662 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_035662?
Yes, KEHONG BIO provides custom synthesis services for NCI60_035662 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.