3-Chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one
TL;DR: 3-Chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one (CAS 61888-41-3) is a chemical compound with molecular formula C13H13ClO2 and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one
Also Known As: 3-chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one, 2-Cyclohexen-1-one, 3-chloro-5-(4-methoxyphenyl)-, 3-chloro-5-(4-methoxyphenyl)-cyclohex-2-enone, 5-Chloro-4'-methoxy-1,6-dihydro[1,1'-biphenyl]-3(2H)-one
| Molecular Formula | C13H13ClO2 |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 3.2644 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.06041 |
| Heavy Atoms | 16 |
| Complexity | 420.06366 |
Chemical Identifiers
| CAS Number | 61888-41-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=CC(=O)C2)Cl |
Product Overview
3-Chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one (CAS 61888-41-3), with molecular formula C13H13ClO2 and molecular weight 236.06 g/mol. IUPAC: 3-chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one.
Chemical Property Profile of 3-Chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one
Property Insights of 3-Chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one
The XLogP value of 3.2644 indicates that 3-Chloro-5-(4-methoxyphenyl)cyclohex-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 26.3 Ų, 3-Chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one has 0 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-Chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one?
The CAS number of 3-Chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one is 61888-41-3.
What is the molecular formula of 3-Chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one?
The molecular formula of 3-Chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one is C13H13ClO2.
What is the molecular weight of 3-Chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one?
The molecular weight of 3-Chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one is 236.06 g/mol.
Where can I buy 3-Chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one?
You can request a quote for 3-Chloro-5-(4-methoxyphenyl)cyclohex-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-Chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-(4-methoxyphenyl)cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.