2-(4-Methylanilino)cyclohepta-2,4,6-trien-1-one
TL;DR: 2-(4-Methylanilino)cyclohepta-2,4,6-trien-1-one (CAS 65945-13-3) is a chemical compound with molecular formula C14H13NO and molecular weight 211.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylanilino)cyclohepta-2,4,6-trien-1-one
Also Known As: 2-(p-tolylamino)cyclohepta-2,4,6-trienone, 2-(4-methylanilino)cyclohepta-2,4,6-trien-1-one, J1.398.674F, 2-(p-Toluidino)-2,4,6-cycloheptatrien-1-one, 2-(p-Toluidino)-2,4,6-cycloheptatriene-1-one
| Molecular Formula | C14H13NO |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.09972 |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 65945-13-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=CC=CC=CC2=O |
| InChIKey | OCPDYWQXVYDNJK-UHFFFAOYSA-N |
Product Overview
2-(4-Methylanilino)cyclohepta-2,4,6-trien-1-one (CAS 65945-13-3), with molecular formula C14H13NO and molecular weight 211.10 g/mol. IUPAC: 2-(4-methylanilino)cyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2-(4-Methylanilino)cyclohepta-2,4,6-trien-1-one
Property Insights of 2-(4-Methylanilino)cyclohepta-2,4,6-trien-1-one
The XLogP value of 3.7 indicates that 2-(4-Methylanilino)cyclohepta-2,4,6-trien-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, 2-(4-Methylanilino)cyclohepta-2,4,6-trien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylanilino)cyclohepta-2,4,6-trien-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 2-(4-Methylanilino)cyclohepta-2,4,6-trien-1-one?
The CAS number of 2-(4-Methylanilino)cyclohepta-2,4,6-trien-1-one is 65945-13-3.
What is the molecular formula of 2-(4-Methylanilino)cyclohepta-2,4,6-trien-1-one?
The molecular formula of 2-(4-Methylanilino)cyclohepta-2,4,6-trien-1-one is C14H13NO.
What is the molecular weight of 2-(4-Methylanilino)cyclohepta-2,4,6-trien-1-one?
The molecular weight of 2-(4-Methylanilino)cyclohepta-2,4,6-trien-1-one is 211.10 g/mol.
Where can I buy 2-(4-Methylanilino)cyclohepta-2,4,6-trien-1-one?
You can request a quote for 2-(4-Methylanilino)cyclohepta-2,4,6-trien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylanilino)cyclohepta-2,4,6-trien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylanilino)cyclohepta-2,4,6-trien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.