4H-008
TL;DR: 4H-008 (CAS 338420-77-2) is a chemical compound with molecular formula C20H11ClF6N2OS and molecular weight 476.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-2-(trifluoromethyl)benzamide
Also Known As: 4H-008, N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide, N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}phenyl)-2-(trifluoromethyl)benzamide, N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}phenyl)-2-(trifluoromethyl)benzenecarboxamide
| Molecular Formula | C20H11ClF6N2OS |
|---|---|
| Molecular Weight | 476.02 g/mol |
| LogP | 7.1761 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.0185 |
| Heavy Atoms | 31 |
| Complexity | 1117.3096 |
Chemical Identifiers
| CAS Number | 338420-77-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=CC=CC=C2SC3=C(C=C(C=N3)C(F)(F)F)Cl)C(F)(F)F |
Product Overview
4H-008 (CAS 338420-77-2), with molecular formula C20H11ClF6N2OS and molecular weight 476.02 g/mol. IUPAC: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-2-(trifluoromethyl)benzamide.
Chemical Property Profile of 4H-008
Property Insights of 4H-008
The XLogP value of 7.1761 indicates that 4H-008 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, 4H-008 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-008 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4H-008?
The CAS number of 4H-008 is 338420-77-2.
What is the molecular formula of 4H-008?
The molecular formula of 4H-008 is C20H11ClF6N2OS.
What is the molecular weight of 4H-008?
The molecular weight of 4H-008 is 476.02 g/mol.
Where can I buy 4H-008?
You can request a quote for 4H-008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-008?
Yes, KEHONG BIO provides custom synthesis services for 4H-008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.