2-Methyl-7-(4-methylphenyl)-1,2-oxazepane
TL;DR: 2-Methyl-7-(4-methylphenyl)-1,2-oxazepane (CAS 3382-85-2) is a chemical compound with molecular formula C13H19NO and molecular weight 205.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-7-(4-methylphenyl)oxazepane
Also Known As: 2-Methyl-7-(4-methylphenyl)-1,2-oxazepane, 2-methyl-7-(4-methylphenyl)oxazepane, 1, hexahydro-2-methyl-7-p-tolyl-, 1,2-Oxazepine, hexahydro-2-methyl-7-p-tolyl-, 2-Methyl-7-(p-tolyl)-hexahydro-1,2-oxazepin
| Molecular Formula | C13H19NO |
|---|---|
| Molecular Weight | 205.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.14667 |
| Heavy Atoms | 15 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 3382-85-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CCCCN(O2)C |
| InChIKey | VIHPSOAYSSYHQK-UHFFFAOYSA-N |
Product Overview
2-Methyl-7-(4-methylphenyl)-1,2-oxazepane (CAS 3382-85-2), with molecular formula C13H19NO and molecular weight 205.15 g/mol. IUPAC: 2-methyl-7-(4-methylphenyl)oxazepane.
Chemical Property Profile of 2-Methyl-7-(4-methylphenyl)-1,2-oxazepane
Property Insights of 2-Methyl-7-(4-methylphenyl)-1,2-oxazepane
The XLogP value of 3.0 indicates that 2-Methyl-7-(4-methylphenyl)-1,2-oxazepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 2-Methyl-7-(4-methylphenyl)-1,2-oxazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-7-(4-methylphenyl)-1,2-oxazepane 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 2-Methyl-7-(4-methylphenyl)-1,2-oxazepane?
The CAS number of 2-Methyl-7-(4-methylphenyl)-1,2-oxazepane is 3382-85-2.
What is the molecular formula of 2-Methyl-7-(4-methylphenyl)-1,2-oxazepane?
The molecular formula of 2-Methyl-7-(4-methylphenyl)-1,2-oxazepane is C13H19NO.
What is the molecular weight of 2-Methyl-7-(4-methylphenyl)-1,2-oxazepane?
The molecular weight of 2-Methyl-7-(4-methylphenyl)-1,2-oxazepane is 205.15 g/mol.
Where can I buy 2-Methyl-7-(4-methylphenyl)-1,2-oxazepane?
You can request a quote for 2-Methyl-7-(4-methylphenyl)-1,2-oxazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-7-(4-methylphenyl)-1,2-oxazepane?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-7-(4-methylphenyl)-1,2-oxazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.