5-(3,4-Dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one
TL;DR: 5-(3,4-Dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one (CAS 351013-77-9) is a chemical compound with molecular formula C21H23NO3 and molecular weight 337.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one
Also Known As: BAS 01849656, 5-(3,4-dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one, 5-(3,4-dimethoxyphenyl)-3-(2-toluidino)cyclohex-2-en-1-one, 5-(3,4-Dimethoxy-phenyl)-3-o-tolylamino-cyclohex-2-enone, 3',4'-dimethoxy-5-(o-tolylamino)-1,6-dihydro-[1,1'-biphenyl]-3(2H)-one
| Molecular Formula | C21H23NO3 |
|---|---|
| Molecular Weight | 337.17 g/mol |
| LogP | 4.45472 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.1678 |
| Heavy Atoms | 25 |
| Complexity | 810.5385 |
Chemical Identifiers
| CAS Number | 351013-77-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=CC(=O)CC(C2)C3=CC(=C(C=C3)OC)OC |
Product Overview
5-(3,4-Dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one (CAS 351013-77-9), with molecular formula C21H23NO3 and molecular weight 337.17 g/mol. IUPAC: 5-(3,4-dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one.
Chemical Property Profile of 5-(3,4-Dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one
Property Insights of 5-(3,4-Dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one
The XLogP value of 4.45472 indicates that 5-(3,4-Dimethoxyphenyl)-3-(2-methylanilino)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 47.56 Ų, 5-(3,4-Dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3,4-Dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one 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 5-(3,4-Dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one?
The CAS number of 5-(3,4-Dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one is 351013-77-9.
What is the molecular formula of 5-(3,4-Dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one?
The molecular formula of 5-(3,4-Dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one is C21H23NO3.
What is the molecular weight of 5-(3,4-Dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one?
The molecular weight of 5-(3,4-Dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one is 337.17 g/mol.
Where can I buy 5-(3,4-Dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one?
You can request a quote for 5-(3,4-Dimethoxyphenyl)-3-(2-methylanilino)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 5-(3,4-Dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-Dimethoxyphenyl)-3-(2-methylanilino)cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.