CK1
TL;DR: CK1 (CAS 956753-89-2) is a chemical compound with molecular formula C22H21N5 and molecular weight 355.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-diphenylpyrazol-5-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Also Known As: CK1, A-IN-5, 3-(1,3-Diphenyl-1H-pyrazol-5-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine, 3-(2,5-diphenylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
| Molecular Formula | C22H21N5 |
|---|---|
| Molecular Weight | 355.18 g/mol |
| LogP | 4.5242 |
| Topological Polar Surface Area | 48.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.1797 |
| Heavy Atoms | 27 |
| Complexity | 1047.0189 |
Chemical Identifiers
| CAS Number | 956753-89-2 |
|---|---|
| SMILES | C1CCC2=NN=C(N2CC1)C3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
CK1 (CAS 956753-89-2), with molecular formula C22H21N5 and molecular weight 355.18 g/mol. IUPAC: 3-(1,3-diphenylpyrazol-5-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine.
Chemical Property Profile of CK1
Property Insights of CK1
The XLogP value of 4.5242 indicates that CK1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.53 Ų, CK1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CK1 has 0 hydrogen bond donor(s) and 3 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 CK1?
The CAS number of CK1 is 956753-89-2.
What is the molecular formula of CK1?
The molecular formula of CK1 is C22H21N5.
What is the molecular weight of CK1?
The molecular weight of CK1 is 355.18 g/mol.
Where can I buy CK1?
You can request a quote for CK1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CK1?
Yes, KEHONG BIO provides custom synthesis services for CK1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.