ChemDiv2_004592
TL;DR: ChemDiv2_004592 (CAS 516455-67-7) is a chemical compound with molecular formula C22H30ClN3O2 and molecular weight 403.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]ethylamino]-5,5-dimethylcyclohex-2-en-1-one
Also Known As: ChemDiv2_004592, IDI1_003307, AJ-292/42034467, 3-[(2-{4-[(4-chlorophenyl)acetyl]-1-piperazinyl}ethyl)amino]-5,5-dimethyl-2-cyclohexen-1-one, 3-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]ethylamino]-5,5-dimethylcyclohex-2-en-1-one
| Molecular Formula | C22H30ClN3O2 |
|---|---|
| Molecular Weight | 403.20 g/mol |
| LogP | 2.8893 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.20267 |
| Heavy Atoms | 28 |
| Complexity | 734.6537 |
Chemical Identifiers
| CAS Number | 516455-67-7 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NCCN2CCN(CC2)C(=O)CC3=CC=C(C=C3)Cl)C |
Product Overview
ChemDiv2_004592 (CAS 516455-67-7), with molecular formula C22H30ClN3O2 and molecular weight 403.20 g/mol. IUPAC: 3-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]ethylamino]-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of ChemDiv2_004592
Property Insights of ChemDiv2_004592
The XLogP value of 2.8893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004592. With a topological polar surface area (TPSA) of 52.65 Ų, ChemDiv2_004592 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_004592 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 ChemDiv2_004592?
The CAS number of ChemDiv2_004592 is 516455-67-7.
What is the molecular formula of ChemDiv2_004592?
The molecular formula of ChemDiv2_004592 is C22H30ClN3O2.
What is the molecular weight of ChemDiv2_004592?
The molecular weight of ChemDiv2_004592 is 403.20 g/mol.
Where can I buy ChemDiv2_004592?
You can request a quote for ChemDiv2_004592 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004592?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004592 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.