ChemDiv3_014336
TL;DR: ChemDiv3_014336 (CAS 890641-97-1) is a chemical compound with molecular formula C23H23N3O and molecular weight 357.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)-3-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)amino]cyclohex-2-en-1-one
Also Known As: ChemDiv3_014336, IDI1_030134, 5-(4-methylphenyl)-3-[(3-methyl-4-phenyl-1H-pyrazol-5-yl)amino]cyclohex-2-en-1-one, 5-(4-methylphenyl)-3-[(3-methyl-4-phenylpyrazol-5-yl)amino]cyclohex-2-en-1-one, 5-(4-methylphenyl)-3-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)amino]cyclohex-2-en-1-one
| Molecular Formula | C23H23N3O |
|---|---|
| Molecular Weight | 357.18 g/mol |
| LogP | 5.13604 |
| Topological Polar Surface Area | 57.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.1841 |
| Heavy Atoms | 27 |
| Complexity | 984.2228 |
Chemical Identifiers
| CAS Number | 890641-97-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=CC(=O)C2)NC3=NNC(=C3C4=CC=CC=C4)C |
Product Overview
ChemDiv3_014336 (CAS 890641-97-1), with molecular formula C23H23N3O and molecular weight 357.18 g/mol. IUPAC: 5-(4-methylphenyl)-3-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)amino]cyclohex-2-en-1-one.
Chemical Property Profile of ChemDiv3_014336
Property Insights of ChemDiv3_014336
The XLogP value of 5.13604 indicates that ChemDiv3_014336 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.78 Ų, ChemDiv3_014336 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_014336 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_014336?
The CAS number of ChemDiv3_014336 is 890641-97-1.
What is the molecular formula of ChemDiv3_014336?
The molecular formula of ChemDiv3_014336 is C23H23N3O.
What is the molecular weight of ChemDiv3_014336?
The molecular weight of ChemDiv3_014336 is 357.18 g/mol.
Where can I buy ChemDiv3_014336?
You can request a quote for ChemDiv3_014336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_014336?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_014336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.