NCI60_025504
TL;DR: NCI60_025504 (CAS 128229-97-0) is a chemical compound with molecular formula C17H12ClF7N2O2 and molecular weight 444.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[2-(3-chloro-4-fluoroanilino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
Also Known As: NCI60_025504, Benzyl 1-(3-chloro-4-fluoroanilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate, Carbamic acid, [1-[(3-chloro-4-fluorophenyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-, phenylmethyl ester, benzyl N-[1-(3-chloro-4-fluoro-anilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]carbamate, benzyl N-[2-(3-chloro-4-fluoroanilino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
| Molecular Formula | C17H12ClF7N2O2 |
|---|---|
| Molecular Weight | 444.05 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.04755 |
| Heavy Atoms | 29 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 128229-97-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC(C(F)(F)F)(C(F)(F)F)NC2=CC(=C(C=C2)F)Cl |
| InChIKey | OOEABJDRXFVFAF-UHFFFAOYSA-N |
Product Overview
NCI60_025504 (CAS 128229-97-0), with molecular formula C17H12ClF7N2O2 and molecular weight 444.05 g/mol. IUPAC: benzyl N-[2-(3-chloro-4-fluoroanilino)-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate.
Chemical Property Profile of NCI60_025504
Property Insights of NCI60_025504
The XLogP value of 6.6 indicates that NCI60_025504 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, NCI60_025504 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_025504 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_025504?
The CAS number of NCI60_025504 is 128229-97-0.
What is the molecular formula of NCI60_025504?
The molecular formula of NCI60_025504 is C17H12ClF7N2O2.
What is the molecular weight of NCI60_025504?
The molecular weight of NCI60_025504 is 444.05 g/mol.
Where can I buy NCI60_025504?
You can request a quote for NCI60_025504 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_025504?
Yes, KEHONG BIO provides custom synthesis services for NCI60_025504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.