RefChem:1081181
TL;DR: RefChem:1081181 (CAS 58965-20-1) is a chemical compound with molecular formula C20H31BrN2 and molecular weight 378.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,9-diethyl-3,4-dihydro-2H-carbazol-1-yl)ethyl-dimethylazanium bromide
Also Known As: 1,9-Diethyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazole-1-ethanamine hydrochloride, Carbazole-1-ethylamine, 1,2,3,4-tetrahydro-1,9-diethyl-N,N-dimethyl-, hydrobromide, 2-(1,9-Diethyl-3,4-dihydro-2H-carbazol-1-yl)ethyl-dimethylazaniumbromide, 2-(1,9-diethyl-3,4-dihydro-2H-carbazol-1-yl)ethyl-dimethylazanium bromide, CARBAZOLE-1-ETHYLAMINE, 1,2,3,4-TETRAHYDRO-1,9-DIETHYL-N,N-DIMETHYL-, HYDROBROMI
| Molecular Formula | C20H31BrN2 |
|---|---|
| Molecular Weight | 378.17 g/mol |
| LogP | 0.18 |
| Topological Polar Surface Area | 9.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.16705 |
| Heavy Atoms | 23 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 58965-20-1 |
|---|---|
| SMILES | CCC1(CCCC2=C1N(C3=CC=CC=C23)CC)CC[NH+](C)C.[Br-] |
| InChIKey | VHNIVQMRZOVUPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1081181 (CAS 58965-20-1), with molecular formula C20H31BrN2 and molecular weight 378.17 g/mol. IUPAC: 2-(1,9-diethyl-3,4-dihydro-2H-carbazol-1-yl)ethyl-dimethylazanium bromide.
Chemical Property Profile of RefChem:1081181
Property Insights of RefChem:1081181
The XLogP value of 0.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1081181. With a topological polar surface area (TPSA) of 9.4 Ų, RefChem:1081181 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1081181 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 RefChem:1081181?
The CAS number of RefChem:1081181 is 58965-20-1.
What is the molecular formula of RefChem:1081181?
The molecular formula of RefChem:1081181 is C20H31BrN2.
What is the molecular weight of RefChem:1081181?
The molecular weight of RefChem:1081181 is 378.17 g/mol.
Where can I buy RefChem:1081181?
You can request a quote for RefChem:1081181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1081181?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1081181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.