![1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane structure](/static/products/872/872585-55-2.png)
1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane
TL;DR: 1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane (CAS 872585-55-2) 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.
3-benzyl-1-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
Also Known As: 1-benzyl-3,4-epoxy-3-methylpiperidine, 1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane, 3-benzyl-1-methyl-7-oxa-3-azabicyclo[4.1.0]heptane, 4-benzyl-6-methyl-7-oxa-4-azabicyclo[4.1.0]heptane
| Molecular Formula | C13H17NO |
|---|---|
| Molecular Weight | 203.13 g/mol |
| LogP | 2.0498 |
| Topological Polar Surface Area | 15.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.13101 |
| Heavy Atoms | 15 |
| Complexity | 350.81342 |
Chemical Identifiers
| CAS Number | 872585-55-2 |
|---|---|
| SMILES | CC12CN(CCC1O2)CC3=CC=CC=C3 |
Product Overview
1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane (CAS 872585-55-2), with molecular formula C13H17NO and molecular weight 203.13 g/mol. IUPAC: 3-benzyl-1-methyl-7-oxa-3-azabicyclo[4.1.0]heptane.
Chemical Property Profile of 1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane
Property Insights of 1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane
The XLogP value of 2.0498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane. With a topological polar surface area (TPSA) of 15.77 Ų, 1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane 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-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane?
The CAS number of 1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane is 872585-55-2.
What is the molecular formula of 1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane?
The molecular formula of 1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane is C13H17NO.
What is the molecular weight of 1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane?
The molecular weight of 1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane is 203.13 g/mol.
Where can I buy 1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane?
You can request a quote for 1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-(phenylmethyl)-7-oxa-3-azabicyclo[4.1.0]heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.