4H-902
TL;DR: 4H-902 (CAS 338422-35-8) is a chemical compound with molecular formula C18H14Cl2F3N3O3 and molecular weight 447.04 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]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl 4-chlorobenzoate
Also Known As: 4H-902, [5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl 4-chlorobenzoate, [5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]methyl 4-chlorobenzenecarboxylate, [5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl 4-chlorobenzoate, [5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-4,5-dihydro-1,2-oxazol-3-yl]methyl4-chlorobenzoate
| Molecular Formula | C18H14Cl2F3N3O3 |
|---|---|
| Molecular Weight | 447.04 g/mol |
| LogP | 4.821 |
| Topological Polar Surface Area | 72.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.03644 |
| Heavy Atoms | 29 |
| Complexity | 920.80273 |
Chemical Identifiers
| CAS Number | 338422-35-8 |
|---|---|
| SMILES | C1C(ON=C1COC(=O)C2=CC=C(C=C2)Cl)CNC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
4H-902 (CAS 338422-35-8), with molecular formula C18H14Cl2F3N3O3 and molecular weight 447.04 g/mol. IUPAC: [5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl 4-chlorobenzoate.
Chemical Property Profile of 4H-902
Property Insights of 4H-902
The XLogP value of 4.821 indicates that 4H-902 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-902. Following Lipinski's Rule of Five, 4H-902 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 4H-902?
The CAS number of 4H-902 is 338422-35-8.
What is the molecular formula of 4H-902?
The molecular formula of 4H-902 is C18H14Cl2F3N3O3.
What is the molecular weight of 4H-902?
The molecular weight of 4H-902 is 447.04 g/mol.
Where can I buy 4H-902?
You can request a quote for 4H-902 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-902?
Yes, KEHONG BIO provides custom synthesis services for 4H-902 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.