RefChem:339891
TL;DR: RefChem:339891 (CAS 114896-49-0) is a chemical compound with molecular formula C21H25N3O and molecular weight 335.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-[2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenoxy]ethanamine
Also Known As: 1-(2-(2-Dimethylaminoethoxy)phenyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole, Ethanamine, N,N-dimethyl-2-(2-(2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)phenoxy)-, N,N-Dimethyl-2-[2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenoxy]ethan-1-amine, N,N-dimethyl-2-[2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenoxy]ethanamine, BRN 4716857
| Molecular Formula | C21H25N3O |
|---|---|
| Molecular Weight | 335.20 g/mol |
| LogP | 3.3434 |
| Topological Polar Surface Area | 40.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.19977 |
| Heavy Atoms | 25 |
| Complexity | 868.4586 |
Chemical Identifiers
| CAS Number | 114896-49-0 |
|---|---|
| SMILES | CN(C)CCOC1=CC=CC=C1C2C3=C(CCN2)C4=CC=CC=C4N3 |
Product Overview
RefChem:339891 (CAS 114896-49-0), with molecular formula C21H25N3O and molecular weight 335.20 g/mol. IUPAC: N,N-dimethyl-2-[2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenoxy]ethanamine.
Chemical Property Profile of RefChem:339891
Property Insights of RefChem:339891
The XLogP value of 3.3434 indicates that RefChem:339891 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.29 Ų, RefChem:339891 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:339891 has 2 hydrogen bond donor(s) and 3 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:339891?
The CAS number of RefChem:339891 is 114896-49-0.
What is the molecular formula of RefChem:339891?
The molecular formula of RefChem:339891 is C21H25N3O.
What is the molecular weight of RefChem:339891?
The molecular weight of RefChem:339891 is 335.20 g/mol.
Where can I buy RefChem:339891?
You can request a quote for RefChem:339891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:339891?
Yes, KEHONG BIO provides custom synthesis services for RefChem:339891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.