1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride
TL;DR: 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride (CAS 4499-20-1) is a chemical compound with molecular formula C12H15ClN2 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-3-aza-10-azoniatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene chloride
Also Known As: 6-Methyl-3,4,5,6-tetrahydro-1H-azepino(5,4,3-cd)indole hydrochloride, 1H-AZEPINO(5,4,3-cd)INDOLE, 3,4,5,6-TETRAHYDRO-6-METHYL-, HYDROCHLORIDE, RefChem:237398
| Molecular Formula | C12H15ClN2 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | -1.65 |
| Topological Polar Surface Area | 32.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.09238 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 4499-20-1 |
|---|---|
| SMILES | CC1C2=C3C(=CNC3=CC=C2)CC[NH2+]1.[Cl-] |
| InChIKey | YQGWWPIFPHGHTG-UHFFFAOYSA-N |
Product Overview
1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride (CAS 4499-20-1), with molecular formula C12H15ClN2 and molecular weight 222.09 g/mol. IUPAC: 9-methyl-3-aza-10-azoniatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene chloride.
Chemical Property Profile of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride
Property Insights of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride
The XLogP value of -1.65 indicates that 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 32.4 Ų, 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride has 2 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 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride?
The CAS number of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride is 4499-20-1.
What is the molecular formula of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride?
The molecular formula of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride is C12H15ClN2.
What is the molecular weight of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride?
The molecular weight of 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride is 222.09 g/mol.
Where can I buy 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride?
You can request a quote for 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepino(5,4,3-cd)indole, 3,4,5,6-tetrahydro-6-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.