NCI60_003011
TL;DR: NCI60_003011 (CAS 501680-50-8) is a chemical compound with molecular formula C12H6Cl3F6N3O2 and molecular weight 442.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]amino] N-(1,2,2-trichloroethenyl)carbamate
Also Known As: NCI60_003011, N'-({[(1,2,2-Trichlorovinyl)amino]carbonyl}oxy)-3,5-bis(trifluoromethyl)benzenecarboximidamide, {amino[3,5-bis(trifluoromethyl)phenyl]methylidene}amino N-(trichloroethenyl)carbamate, [(Z)-[Amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]amino] N-(1,2,2-trichloroethenyl)carbamate
| Molecular Formula | C12H6Cl3F6N3O2 |
|---|---|
| Molecular Weight | 442.94 g/mol |
| LogP | 4.9137 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.943 |
| Heavy Atoms | 26 |
| Complexity | 725.30804 |
Chemical Identifiers
| CAS Number | 501680-50-8 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)/C(=N/OC(=O)NC(=C(Cl)Cl)Cl)/N |
Product Overview
NCI60_003011 (CAS 501680-50-8), with molecular formula C12H6Cl3F6N3O2 and molecular weight 442.94 g/mol. IUPAC: [(Z)-[amino-[3,5-bis(trifluoromethyl)phenyl]methylidene]amino] N-(1,2,2-trichloroethenyl)carbamate.
Chemical Property Profile of NCI60_003011
Property Insights of NCI60_003011
The XLogP value of 4.9137 indicates that NCI60_003011 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_003011. Following Lipinski's Rule of Five, NCI60_003011 has 2 hydrogen bond donor(s) and 3 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 NCI60_003011?
The CAS number of NCI60_003011 is 501680-50-8.
What is the molecular formula of NCI60_003011?
The molecular formula of NCI60_003011 is C12H6Cl3F6N3O2.
What is the molecular weight of NCI60_003011?
The molecular weight of NCI60_003011 is 442.94 g/mol.
Where can I buy NCI60_003011?
You can request a quote for NCI60_003011 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003011?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.