9H-924
TL;DR: 9H-924 (CAS 339110-69-9) is a chemical compound with molecular formula C12H13ClF3N3O2 and molecular weight 323.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethanol
Also Known As: 9H-924, 1-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-1-ethanol, 1-[5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethanol, 1-[5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-4,5-dihydro-1,2-oxazol-3-yl]ethan-1-ol
| Molecular Formula | C12H13ClF3N3O2 |
|---|---|
| Molecular Weight | 323.06 g/mol |
| LogP | 2.6914 |
| Topological Polar Surface Area | 66.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.06485 |
| Heavy Atoms | 21 |
| Complexity | 549.0394 |
Chemical Identifiers
| CAS Number | 339110-69-9 |
|---|---|
| SMILES | CC(C1=NOC(C1)CNC2=C(C=C(C=N2)C(F)(F)F)Cl)O |
Product Overview
9H-924 (CAS 339110-69-9), with molecular formula C12H13ClF3N3O2 and molecular weight 323.06 g/mol. IUPAC: 1-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethanol.
Chemical Property Profile of 9H-924
Property Insights of 9H-924
The XLogP value of 2.6914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-924. The TPSA of 66.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-924. Following Lipinski's Rule of Five, 9H-924 has 2 hydrogen bond donor(s) and 5 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 9H-924?
The CAS number of 9H-924 is 339110-69-9.
What is the molecular formula of 9H-924?
The molecular formula of 9H-924 is C12H13ClF3N3O2.
What is the molecular weight of 9H-924?
The molecular weight of 9H-924 is 323.06 g/mol.
Where can I buy 9H-924?
You can request a quote for 9H-924 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-924?
Yes, KEHONG BIO provides custom synthesis services for 9H-924 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.