2-Anilino-2-methylcyclohexan-1-one
TL;DR: 2-Anilino-2-methylcyclohexan-1-one (CAS 3341-49-9) is a chemical compound with molecular formula C13H17NO and molecular weight 203.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilino-2-methylcyclohexan-1-one
Also Known As: 2-anilino-2-methylcyclohexan-1-one, 2-methyl-2-(phenylamino)cyclohexanone
| Molecular Formula | C13H17NO |
|---|---|
| Molecular Weight | 203.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.13101 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 3341-49-9 |
|---|---|
| SMILES | CC1(CCCCC1=O)NC2=CC=CC=C2 |
| InChIKey | FVPBLKBTQABGES-UHFFFAOYSA-N |
Product Overview
2-Anilino-2-methylcyclohexan-1-one (CAS 3341-49-9), with molecular formula C13H17NO and molecular weight 203.13 g/mol. IUPAC: 2-anilino-2-methylcyclohexan-1-one.
Chemical Property Profile of 2-Anilino-2-methylcyclohexan-1-one
Property Insights of 2-Anilino-2-methylcyclohexan-1-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Anilino-2-methylcyclohexan-1-one. With a topological polar surface area (TPSA) of 29.1 Ų, 2-Anilino-2-methylcyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Anilino-2-methylcyclohexan-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-Anilino-2-methylcyclohexan-1-one?
The CAS number of 2-Anilino-2-methylcyclohexan-1-one is 3341-49-9.
What is the molecular formula of 2-Anilino-2-methylcyclohexan-1-one?
The molecular formula of 2-Anilino-2-methylcyclohexan-1-one is C13H17NO.
What is the molecular weight of 2-Anilino-2-methylcyclohexan-1-one?
The molecular weight of 2-Anilino-2-methylcyclohexan-1-one is 203.13 g/mol.
Where can I buy 2-Anilino-2-methylcyclohexan-1-one?
You can request a quote for 2-Anilino-2-methylcyclohexan-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-Anilino-2-methylcyclohexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Anilino-2-methylcyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.