1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-9-chloro-1,6-dimethyl-, hydrochloride
TL;DR: 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-9-chloro-1,6-dimethyl-, hydrochloride (CAS 4499-21-2) is a chemical compound with molecular formula C13H14Cl2N2 and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3,9-dimethyl-10-aza-3-azoniatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),9-pentaene chloride
Also Known As: 3,4-Dihydro-9-chloro-1,6-dimethyl-1H-azepino(5,4,3-cd)indole hydrochloride, 1H-AZEPINO(5,4,3-cd)INDOLE, 3,4-DIHYDRO-9-CHLORO-1,6-DIMETHYL-, HYDROCHLORIDE, 9-Chloro-3,4,-dihydro-1,6-dimethyl-1H-azepino(5,4,3-cd)indole hydrochloride, RefChem:1057803
| Molecular Formula | C13H14Cl2N2 |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | -0.94 |
| Topological Polar Surface Area | 16.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.0534 |
| Heavy Atoms | 17 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 4499-21-2 |
|---|---|
| SMILES | CC1=NCCC2=C[NH+](C3=C(C=CC1=C23)Cl)C.[Cl-] |
| InChIKey | ORQKXOPCHGZUCM-UHFFFAOYSA-N |
Product Overview
1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-9-chloro-1,6-dimethyl-, hydrochloride (CAS 4499-21-2), with molecular formula C13H14Cl2N2 and molecular weight 268.05 g/mol. IUPAC: 5-chloro-3,9-dimethyl-10-aza-3-azoniatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),9-pentaene chloride.
Chemical Property Profile of 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-9-chloro-1,6-dimethyl-, hydrochloride
Property Insights of 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-9-chloro-1,6-dimethyl-, hydrochloride
The XLogP value of -0.94 indicates that 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-9-chloro-1,6-dimethyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 16.8 Ų, 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-9-chloro-1,6-dimethyl-, 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-dihydro-9-chloro-1,6-dimethyl-, hydrochloride has 1 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 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-9-chloro-1,6-dimethyl-, hydrochloride?
The CAS number of 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-9-chloro-1,6-dimethyl-, hydrochloride is 4499-21-2.
What is the molecular formula of 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-9-chloro-1,6-dimethyl-, hydrochloride?
The molecular formula of 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-9-chloro-1,6-dimethyl-, hydrochloride is C13H14Cl2N2.
What is the molecular weight of 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-9-chloro-1,6-dimethyl-, hydrochloride?
The molecular weight of 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-9-chloro-1,6-dimethyl-, hydrochloride is 268.05 g/mol.
Where can I buy 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-9-chloro-1,6-dimethyl-, hydrochloride?
You can request a quote for 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-9-chloro-1,6-dimethyl-, 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-dihydro-9-chloro-1,6-dimethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepino(5,4,3-cd)indole, 3,4-dihydro-9-chloro-1,6-dimethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.