3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
TL;DR: 3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine (CAS 445265-12-3) is a chemical compound with molecular formula C13H19N and molecular weight 189.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,5-trimethyl-1,2,4,5-tetrahydro-2-benzazepine
Also Known As: 3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine, 3,3,5-trimethyl-1,2,4,5-tetrahydro-2-benzazepine, AM-760/13523007, W-9844, 2,3,4,5-Tetrahydro-3,3,5-trimethyl-3H-benz[2]azepine
| Molecular Formula | C13H19N |
|---|---|
| Molecular Weight | 189.15 g/mol |
| LogP | 3.062 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.15175 |
| Heavy Atoms | 14 |
| Complexity | 327.7624 |
Chemical Identifiers
| CAS Number | 445265-12-3 |
|---|---|
| SMILES | CC1CC(NCC2=CC=CC=C12)(C)C |
Product Overview
3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine (CAS 445265-12-3), with molecular formula C13H19N and molecular weight 189.15 g/mol. IUPAC: 3,3,5-trimethyl-1,2,4,5-tetrahydro-2-benzazepine.
Chemical Property Profile of 3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
Property Insights of 3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
The XLogP value of 3.062 indicates that 3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine 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 3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The CAS number of 3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine is 445265-12-3.
What is the molecular formula of 3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The molecular formula of 3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine is C13H19N.
What is the molecular weight of 3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The molecular weight of 3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine is 189.15 g/mol.
Where can I buy 3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
You can request a quote for 3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
Yes, KEHONG BIO provides custom synthesis services for 3,3,5-trimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.