4H-032
TL;DR: 4H-032 (CAS 338420-91-0) is a chemical compound with molecular formula C17H10Cl2F3N3S and molecular weight 414.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidine
Also Known As: 4H-032, 2-((4-Chlorobenzyl)sulfanyl)-5-(3-chloro-5-(trifluoromethyl)-2-pyridinyl)pyrimidine, 2-[(4-chlorophenyl)methylsulfanyl]-5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrimidine, 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-{[(4-chlorophenyl)methyl]sulfanyl}pyrimidine, 4-chlorobenzyl 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-pyrimidinyl sulfide
| Molecular Formula | C17H10Cl2F3N3S |
|---|---|
| Molecular Weight | 414.99 g/mol |
| LogP | 6.1565 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.99246 |
| Heavy Atoms | 26 |
| Complexity | 900.6218 |
Chemical Identifiers
| CAS Number | 338420-91-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC=C(C=N2)C3=C(C=C(C=N3)C(F)(F)F)Cl)Cl |
Product Overview
4H-032 (CAS 338420-91-0), with molecular formula C17H10Cl2F3N3S and molecular weight 414.99 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrimidine.
Chemical Property Profile of 4H-032
Property Insights of 4H-032
The XLogP value of 6.1565 indicates that 4H-032 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, 4H-032 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-032 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 4H-032?
The CAS number of 4H-032 is 338420-91-0.
What is the molecular formula of 4H-032?
The molecular formula of 4H-032 is C17H10Cl2F3N3S.
What is the molecular weight of 4H-032?
The molecular weight of 4H-032 is 414.99 g/mol.
Where can I buy 4H-032?
You can request a quote for 4H-032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-032?
Yes, KEHONG BIO provides custom synthesis services for 4H-032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.