2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-
TL;DR: 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)- (CAS 7048-72-8) is a chemical compound with molecular formula C13H18N2 and molecular weight 202.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
Also Known As: N-Benzyliminocaprolactam, Benzyliminocaprolactam, N-Benzyl-3,4,5,6-tetrahydro-2H-azepin-7-amine, IFLab1_000117, 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-
| Molecular Formula | C13H18N2 |
|---|---|
| Molecular Weight | 202.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.147 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 7048-72-8 |
|---|---|
| SMILES | C1CCC(=NCC1)NCC2=CC=CC=C2 |
| InChIKey | DKKOGBSTGPXBRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)- (CAS 7048-72-8), with molecular formula C13H18N2 and molecular weight 202.15 g/mol. IUPAC: N-benzyl-3,4,5,6-tetrahydro-2H-azepin-7-amine.
Chemical Property Profile of 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-
Property Insights of 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-. With a topological polar surface area (TPSA) of 24.4 Ų, 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)- has 1 hydrogen bond donor(s) and 1 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-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-?
The CAS number of 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)- is 7048-72-8.
What is the molecular formula of 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-?
The molecular formula of 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)- is C13H18N2.
What is the molecular weight of 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-?
The molecular weight of 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)- is 202.15 g/mol.
Where can I buy 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-?
You can request a quote for 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.