3-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1)
TL;DR: 3-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1) (CAS 54915-21-8) is a chemical compound with molecular formula C13H18ClN and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-methyl-10-azatricyclo[6.3.2.02,7]trideca-2,4,6-triene;hydrochloride
Also Known As: 3-Methyl-1,5-ethano-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride, 3-methyl-2,3,4,5-tetrahydro-1h-1,5-ethano-3-benzazepine hydrochloride(1:1), 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-3-methyl-, hydrochloride, 3-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1), RefChem:1068182
| Molecular Formula | C13H18ClN |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | 3.01 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.11278 |
| Heavy Atoms | 15 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 54915-21-8 |
|---|---|
| SMILES | CN1CC2CCC(C1)C3=CC=CC=C23.Cl |
| InChIKey | JDVDUBCGXHAVFH-UHFFFAOYSA-N |
Product Overview
3-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1) (CAS 54915-21-8), with molecular formula C13H18ClN and molecular weight 223.11 g/mol. IUPAC: 10-methyl-10-azatricyclo[6.3.2.02,7]trideca-2,4,6-triene;hydrochloride.
Chemical Property Profile of 3-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1)
Property Insights of 3-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1)
The XLogP value of 3.01 indicates that 3-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 3-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1) 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-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1)?
The CAS number of 3-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1) is 54915-21-8.
What is the molecular formula of 3-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1)?
The molecular formula of 3-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1) is C13H18ClN.
What is the molecular weight of 3-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1)?
The molecular weight of 3-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1) is 223.11 g/mol.
Where can I buy 3-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1)?
You can request a quote for 3-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.