RefChem:269113
TL;DR: RefChem:269113 (CAS 114896-50-3) is a chemical compound with molecular formula C20H20N2O2 and molecular weight 320.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
Also Known As: 2-(Ethoxycarbonyl)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole, J1.086.329E, Ethyl 1,3,4,9-tetrahydro-1-phenyl-2H-pyrido(3,4-b)indole-2-carboxylate, 2H-Pyrido(3,4-b)indole-2-carboxylic acid, 1,3,4,9-tetrahydro-1-phenyl-, ethyl ester, AE-641/30177054
| Molecular Formula | C20H20N2O2 |
|---|---|
| Molecular Weight | 320.15 g/mol |
| LogP | 4.2719 |
| Topological Polar Surface Area | 45.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.15247 |
| Heavy Atoms | 24 |
| Complexity | 869.736 |
Chemical Identifiers
| CAS Number | 114896-50-3 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1C3=CC=CC=C3)NC4=CC=CC=C24 |
Product Overview
RefChem:269113 (CAS 114896-50-3), with molecular formula C20H20N2O2 and molecular weight 320.15 g/mol. IUPAC: ethyl 1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.
Chemical Property Profile of RefChem:269113
Property Insights of RefChem:269113
The XLogP value of 4.2719 indicates that RefChem:269113 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.33 Ų, RefChem:269113 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:269113 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 RefChem:269113?
The CAS number of RefChem:269113 is 114896-50-3.
What is the molecular formula of RefChem:269113?
The molecular formula of RefChem:269113 is C20H20N2O2.
What is the molecular weight of RefChem:269113?
The molecular weight of RefChem:269113 is 320.15 g/mol.
Where can I buy RefChem:269113?
You can request a quote for RefChem:269113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:269113?
Yes, KEHONG BIO provides custom synthesis services for RefChem:269113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.