![3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one structure](/static/products/2026/202601-79-4.webp)
3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one
TL;DR: 3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one (CAS 202601-79-4) is a chemical compound with molecular formula C15H18ClNO and molecular weight 263.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-((4-chlorobenzyl)amino)-5,5-dimethylcyclohex-2-enone, 3-[(4-chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one, 3-[(4-chlorobenzyl)amino]-5,5-dimethylcyclohex-2-en-1-one
| Molecular Formula | C15H18ClNO |
|---|---|
| Molecular Weight | 263.11 g/mol |
| LogP | 3.7026 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.1077 |
| Heavy Atoms | 18 |
| Complexity | 473.7719 |
Chemical Identifiers
| CAS Number | 202601-79-4 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NCC2=CC=C(C=C2)Cl)C |
Product Overview
3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one (CAS 202601-79-4), with molecular formula C15H18ClNO and molecular weight 263.11 g/mol. IUPAC: 3-[(4-chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one
Property Insights of 3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one
The XLogP value of 3.7026 indicates that 3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one has 1 hydrogen bond donor(s) and 2 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 3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one?
The CAS number of 3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one is 202601-79-4.
What is the molecular formula of 3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one?
The molecular formula of 3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one is C15H18ClNO.
What is the molecular weight of 3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one?
The molecular weight of 3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one is 263.11 g/mol.
Where can I buy 3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one?
You can request a quote for 3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.