RefChem:1065317
TL;DR: RefChem:1065317 (CAS 117439-67-5) is a chemical compound with molecular formula C20H24N4 and molecular weight 320.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanamine
Also Known As: NCI60_011105, 1,3,4,9-Tetrahydro-N,N-dimethyl-1-(3-pyridinyl)-2H-pyrido(3,4-b)indole-2-ethanamine, 2H-Pyrido(3,4-b)indole-2-ethanamine, 1,3,4,9-tetrahydro-N,N-dimethyl-1-(3-pyridinyl)-, n,n-dimethyl-2-(1-(3-pyridinyl)-1,3,4,9-tetrahydro-2h-, A-carbolin-2-yl)ethanamine
| Molecular Formula | C20H24N4 |
|---|---|
| Molecular Weight | 320.20 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 35.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.2001 |
| Heavy Atoms | 24 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 117439-67-5 |
|---|---|
| SMILES | CN(C)CCN1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24 |
| InChIKey | HPWNAQYMZWECFY-UHFFFAOYSA-N |
Product Overview
RefChem:1065317 (CAS 117439-67-5), with molecular formula C20H24N4 and molecular weight 320.20 g/mol. IUPAC: N,N-dimethyl-2-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanamine.
Chemical Property Profile of RefChem:1065317
Property Insights of RefChem:1065317
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1065317. With a topological polar surface area (TPSA) of 35.2 Ų, RefChem:1065317 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1065317 has 1 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:1065317?
The CAS number of RefChem:1065317 is 117439-67-5.
What is the molecular formula of RefChem:1065317?
The molecular formula of RefChem:1065317 is C20H24N4.
What is the molecular weight of RefChem:1065317?
The molecular weight of RefChem:1065317 is 320.20 g/mol.
Where can I buy RefChem:1065317?
You can request a quote for RefChem:1065317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065317?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.