11H-041
TL;DR: 11H-041 (CAS 400075-77-6) is a chemical compound with molecular formula C18H11Cl2F3N2OS and molecular weight 429.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-[[4-(4-chlorophenyl)sulfanyl-2-methyl-3-pyridinyl]oxy]-5-(trifluoromethyl)pyridine
Also Known As: 11H-041, 4-[(4-chlorophenyl)sulfanyl]-2-methyl-3-pyridinyl 3-chloro-5-(trifluoromethyl)-2-pyridinyl ether, 3-chloro-2-[4-(4-chlorophenyl)sulfanyl-2-methylpyridin-3-yl]oxy-5-(trifluoromethyl)pyridine, 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}-4-[(4-chlorophenyl)sulfanyl]-2-methylpyridine, 4-(4-chlorophenyl)sulfanyl-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-2-methyl-pyridine
| Molecular Formula | C18H11Cl2F3N2OS |
|---|---|
| Molecular Weight | 429.99 g/mol |
| LogP | 7.05412 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.99213 |
| Heavy Atoms | 27 |
| Complexity | 965.81085 |
Chemical Identifiers
| CAS Number | 400075-77-6 |
|---|---|
| SMILES | CC1=NC=CC(=C1OC2=C(C=C(C=N2)C(F)(F)F)Cl)SC3=CC=C(C=C3)Cl |
Product Overview
11H-041 (CAS 400075-77-6), with molecular formula C18H11Cl2F3N2OS and molecular weight 429.99 g/mol. IUPAC: 3-chloro-2-[[4-(4-chlorophenyl)sulfanyl-2-methyl-3-pyridinyl]oxy]-5-(trifluoromethyl)pyridine.
Chemical Property Profile of 11H-041
Property Insights of 11H-041
The XLogP value of 7.05412 indicates that 11H-041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, 11H-041 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11H-041 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 11H-041?
The CAS number of 11H-041 is 400075-77-6.
What is the molecular formula of 11H-041?
The molecular formula of 11H-041 is C18H11Cl2F3N2OS.
What is the molecular weight of 11H-041?
The molecular weight of 11H-041 is 429.99 g/mol.
Where can I buy 11H-041?
You can request a quote for 11H-041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11H-041?
Yes, KEHONG BIO provides custom synthesis services for 11H-041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.