1-Methyl-5,5-diphenylazepan-4-one
TL;DR: 1-Methyl-5,5-diphenylazepan-4-one (CAS 6636-28-8) is a chemical compound with molecular formula C19H21NO and molecular weight 279.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5,5-diphenylazepan-4-one
Also Known As: 1-methyl-5,5-diphenylazepan-4-one, 1-METHYL-5,5-DIPHENYL-AZEPAN-4-ONE, 4H-Azepin-4-one,hexahydro-1-methyl-5,5-diphenyl-
| Molecular Formula | C19H21NO |
|---|---|
| Molecular Weight | 279.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.16232 |
| Heavy Atoms | 21 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 6636-28-8 |
|---|---|
| SMILES | CN1CCC(=O)C(CC1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | MADWTYLXETXWLD-UHFFFAOYSA-N |
Product Overview
1-Methyl-5,5-diphenylazepan-4-one (CAS 6636-28-8), with molecular formula C19H21NO and molecular weight 279.16 g/mol. IUPAC: 1-methyl-5,5-diphenylazepan-4-one.
Chemical Property Profile of 1-Methyl-5,5-diphenylazepan-4-one
Property Insights of 1-Methyl-5,5-diphenylazepan-4-one
The XLogP value of 3.3 indicates that 1-Methyl-5,5-diphenylazepan-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Methyl-5,5-diphenylazepan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-5,5-diphenylazepan-4-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 1-Methyl-5,5-diphenylazepan-4-one?
The CAS number of 1-Methyl-5,5-diphenylazepan-4-one is 6636-28-8.
What is the molecular formula of 1-Methyl-5,5-diphenylazepan-4-one?
The molecular formula of 1-Methyl-5,5-diphenylazepan-4-one is C19H21NO.
What is the molecular weight of 1-Methyl-5,5-diphenylazepan-4-one?
The molecular weight of 1-Methyl-5,5-diphenylazepan-4-one is 279.16 g/mol.
Where can I buy 1-Methyl-5,5-diphenylazepan-4-one?
You can request a quote for 1-Methyl-5,5-diphenylazepan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-5,5-diphenylazepan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5,5-diphenylazepan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.