7H-003
TL;DR: 7H-003 (CAS 339011-79-9) is a chemical compound with molecular formula C18H7Cl3F3N3O and molecular weight 442.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenoxy)pyridine-3-carbonitrile
Also Known As: 7H-003, 3-chloro-6'-(2,4-dichlorophenoxy)-5-(trifluoromethyl)-[2,3'-bipyridine]-5'-carbonitrile, 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(2,4-dichlorophenoxy)pyridine-3-carbonitrile, 2-(2,4-Dichlorophenyl)-3-cyano-5-(3-chloro-5-trifluoromethyl-2-pyridyl)pyridine
| Molecular Formula | C18H7Cl3F3N3O |
|---|---|
| Molecular Weight | 442.96 g/mol |
| LogP | 6.78658 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.9607 |
| Heavy Atoms | 28 |
| Complexity | 1097.6547 |
Chemical Identifiers
| CAS Number | 339011-79-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)OC2=C(C=C(C=N2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C#N |
Product Overview
7H-003 (CAS 339011-79-9), with molecular formula C18H7Cl3F3N3O and molecular weight 442.96 g/mol. IUPAC: 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenoxy)pyridine-3-carbonitrile.
Chemical Property Profile of 7H-003
Property Insights of 7H-003
The XLogP value of 6.78658 indicates that 7H-003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.8 Ų, 7H-003 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-003 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7H-003?
The CAS number of 7H-003 is 339011-79-9.
What is the molecular formula of 7H-003?
The molecular formula of 7H-003 is C18H7Cl3F3N3O.
What is the molecular weight of 7H-003?
The molecular weight of 7H-003 is 442.96 g/mol.
Where can I buy 7H-003?
You can request a quote for 7H-003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-003?
Yes, KEHONG BIO provides custom synthesis services for 7H-003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.