RefChem:1099309
TL;DR: RefChem:1099309 (CAS 67629-86-1) is a chemical compound with molecular formula C19H17F3N4O2 and molecular weight 390.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]-N-[3-(trifluoromethyl)phenyl]carbamimidate
Also Known As: US20250353853, Example 1, 3-(alpha-Methylphenethyl)-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)sydnone imine, Sydnone imine, 3-(alpha-methylphenethyl)-N-((alpha,alpha,alpha-trifluoro-m-tolyl)carbamoyl)-, N'-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]-N-[3-(trifluoromethyl)phenyl]carbamimidate, (5E)-3-(1-phenylpropan-2-yl)-5-({[3-(trifluoromethyl)phenyl]carbamoyl}imino)-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
| Molecular Formula | C19H17F3N4O2 |
|---|---|
| Molecular Weight | 390.13 g/mol |
| LogP | 3.2445 |
| Topological Polar Surface Area | 77.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.13037 |
| Heavy Atoms | 28 |
| Complexity | 955.0675 |
Chemical Identifiers
| CAS Number | 67629-86-1 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)/N=C(/NC3=CC=CC(=C3)C(F)(F)F)\[O-] |
Product Overview
RefChem:1099309 (CAS 67629-86-1), with molecular formula C19H17F3N4O2 and molecular weight 390.13 g/mol. IUPAC: N'-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]-N-[3-(trifluoromethyl)phenyl]carbamimidate.
Chemical Property Profile of RefChem:1099309
Property Insights of RefChem:1099309
The XLogP value of 3.2445 indicates that RefChem:1099309 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.36 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1099309. Following Lipinski's Rule of Five, RefChem:1099309 has 1 hydrogen bond donor(s) and 4 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 RefChem:1099309?
The CAS number of RefChem:1099309 is 67629-86-1.
What is the molecular formula of RefChem:1099309?
The molecular formula of RefChem:1099309 is C19H17F3N4O2.
What is the molecular weight of RefChem:1099309?
The molecular weight of RefChem:1099309 is 390.13 g/mol.
Where can I buy RefChem:1099309?
You can request a quote for RefChem:1099309 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1099309?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1099309 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.