8N-046
TL;DR: 8N-046 (CAS 339105-16-7) is a chemical compound with molecular formula C14H19ClF3N3O4S and molecular weight 417.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-N-methylsulfonylcarbamate
Also Known As: 8N-046, tert-butyl N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-N-(methylsulfonyl)carbamate, tert-butyl N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-N-methylsulfonylcarbamate, tert-butyl N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-N-methanesulfonylcarbamate, Tert-butyl N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-N-methylsulfonyl-carbamate
| Molecular Formula | C14H19ClF3N3O4S |
|---|---|
| Molecular Weight | 417.07 g/mol |
| LogP | 3.3624 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.0737 |
| Heavy Atoms | 26 |
| Complexity | 763.68097 |
Chemical Identifiers
| CAS Number | 339105-16-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N(CCNC1=C(C=C(C=N1)C(F)(F)F)Cl)S(=O)(=O)C |
Product Overview
8N-046 (CAS 339105-16-7), with molecular formula C14H19ClF3N3O4S and molecular weight 417.07 g/mol. IUPAC: tert-butyl N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-N-methylsulfonylcarbamate.
Chemical Property Profile of 8N-046
Property Insights of 8N-046
The XLogP value of 3.3624 indicates that 8N-046 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 8N-046. Following Lipinski's Rule of Five, 8N-046 has 1 hydrogen bond donor(s) and 6 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 8N-046?
The CAS number of 8N-046 is 339105-16-7.
What is the molecular formula of 8N-046?
The molecular formula of 8N-046 is C14H19ClF3N3O4S.
What is the molecular weight of 8N-046?
The molecular weight of 8N-046 is 417.07 g/mol.
Where can I buy 8N-046?
You can request a quote for 8N-046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8N-046?
Yes, KEHONG BIO provides custom synthesis services for 8N-046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.