J1.945.466E
TL;DR: J1.945.466E (CAS 309926-97-4) is a chemical compound with molecular formula C18H19N5O and molecular weight 321.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1'-methyl-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile
Also Known As: J1.945.466E, 6-amino-10-methyl-3-phenylspiro[4H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-ca rbonitrile, A2132/0089538, 6'-amino-1-methyl-3'-phenyl-2'H-spiro[piperidine-4,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 6-amino-1'-methyl-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile
| Molecular Formula | C18H19N5O |
|---|---|
| Molecular Weight | 321.16 g/mol |
| LogP | 2.12638 |
| Topological Polar Surface Area | 90.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.15897 |
| Heavy Atoms | 24 |
| Complexity | 838.03925 |
Chemical Identifiers
| CAS Number | 309926-97-4 |
|---|---|
| SMILES | CN1CCC2(CC1)C(=C(OC3=NNC(=C23)C4=CC=CC=C4)N)C#N |
Product Overview
J1.945.466E (CAS 309926-97-4), with molecular formula C18H19N5O and molecular weight 321.16 g/mol. IUPAC: 6-amino-1'-methyl-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidine]-5-carbonitrile.
Chemical Property Profile of J1.945.466E
Property Insights of J1.945.466E
The XLogP value of 2.12638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.945.466E. The TPSA of 90.96 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.945.466E. Following Lipinski's Rule of Five, J1.945.466E 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 J1.945.466E?
The CAS number of J1.945.466E is 309926-97-4.
What is the molecular formula of J1.945.466E?
The molecular formula of J1.945.466E is C18H19N5O.
What is the molecular weight of J1.945.466E?
The molecular weight of J1.945.466E is 321.16 g/mol.
Where can I buy J1.945.466E?
You can request a quote for J1.945.466E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.945.466E?
Yes, KEHONG BIO provides custom synthesis services for J1.945.466E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.