2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-
TL;DR: 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy- (CAS 2525-16-8) is a chemical compound with molecular formula C7H13NO and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-3,4,5,6-tetrahydro-2H-azepine
Also Known As: 7-Methoxy-3,4,5,6-tetrahydro-2H-azepine, O-Methylcaprolactim, O-Methylhexanolactim, Caprolactim methyl ether, Caprolactim-O-methyl ether
| Molecular Formula | C7H13NO |
|---|---|
| Molecular Weight | 127.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.09972 |
| Heavy Atoms | 9 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 2525-16-8 |
|---|---|
| SMILES | COC1=NCCCCC1 |
| InChIKey | DNXIQMQGKSQHPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy- (CAS 2525-16-8), with molecular formula C7H13NO and molecular weight 127.10 g/mol. IUPAC: 7-methoxy-3,4,5,6-tetrahydro-2H-azepine.
Chemical Property Profile of 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-
Property Insights of 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-. With a topological polar surface area (TPSA) of 21.6 Ų, 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy- 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 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-?
The CAS number of 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy- is 2525-16-8.
What is the molecular formula of 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-?
The molecular formula of 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy- is C7H13NO.
What is the molecular weight of 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-?
The molecular weight of 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy- is 127.10 g/mol.
Where can I buy 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-?
You can request a quote for 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.