RefChem:335033
TL;DR: RefChem:335033 (CAS 58982-14-2) is a chemical compound with molecular formula C20H31ClN2 and molecular weight 334.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(10-ethyl-1-methyl-3,4,5,10-tetrahydro-2H-cyclohepta[b]indol-1-yl)ethyl-dimethylazanium chloride
Also Known As: 10-Ethyl-N,N,1-trimethyl-1,2,3,4,5,10-hexahydrocyclohept(b)indole-1-ethanamine hydrochloride, Cyclohept(b)indole-1-ethylamine, 1,2,3,4,5,10-hexahydro-10-ethyl-N,N,1-trimethyl-, hydrochloride, 2-(10-ethyl-1-methyl-3,4,5,10-tetrahydro-2H-cyclohepta[b]indol-1-yl)ethyl-dimethylazanium chloride, RefChem:335033
| Molecular Formula | C20H31ClN2 |
|---|---|
| Molecular Weight | 334.22 g/mol |
| LogP | 0.22 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.2176 |
| Heavy Atoms | 23 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 58982-14-2 |
|---|---|
| SMILES | CCC1C=CC=CC2=C1C3=C(N2)CCCC3(C)CC[NH+](C)C.[Cl-] |
| InChIKey | UXRRCIYCYHKPIU-UHFFFAOYSA-N |
Product Overview
RefChem:335033 (CAS 58982-14-2), with molecular formula C20H31ClN2 and molecular weight 334.22 g/mol. IUPAC: 2-(10-ethyl-1-methyl-3,4,5,10-tetrahydro-2H-cyclohepta[b]indol-1-yl)ethyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:335033
Property Insights of RefChem:335033
The XLogP value of 0.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:335033. With a topological polar surface area (TPSA) of 20.2 Ų, RefChem:335033 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:335033 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 RefChem:335033?
The CAS number of RefChem:335033 is 58982-14-2.
What is the molecular formula of RefChem:335033?
The molecular formula of RefChem:335033 is C20H31ClN2.
What is the molecular weight of RefChem:335033?
The molecular weight of RefChem:335033 is 334.22 g/mol.
Where can I buy RefChem:335033?
You can request a quote for RefChem:335033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:335033?
Yes, KEHONG BIO provides custom synthesis services for RefChem:335033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.