EX-A3122
TL;DR: EX-A3122 (CAS 194098-25-4) is a chemical compound with molecular formula C17H19N3O2 and molecular weight 297.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(methylaminomethyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
Also Known As: EX-A3122, NGD-91-1, Tox21_300440, 1H-Indole-3-carboxamide, 4,5,6,7-tetrahydro-N-(4-((methylamino)methyl)phenyl)-4-oxo-, CP 409092
| Molecular Formula | C17H19N3O2 |
|---|---|
| Molecular Weight | 297.15 g/mol |
| LogP | 2.5054 |
| Topological Polar Surface Area | 73.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.14774 |
| Heavy Atoms | 22 |
| Complexity | 701.19415 |
Chemical Identifiers
| CAS Number | 194098-25-4 |
|---|---|
| SMILES | CNCC1=CC=C(C=C1)NC(=O)C2=CNC3=C2C(=O)CCC3 |
Product Overview
EX-A3122 (CAS 194098-25-4), with molecular formula C17H19N3O2 and molecular weight 297.15 g/mol. IUPAC: N-[4-(methylaminomethyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide.
Chemical Property Profile of EX-A3122
Property Insights of EX-A3122
The XLogP value of 2.5054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EX-A3122. The TPSA of 73.99 Ų falls within the moderate polarity range, balancing permeability and solubility for EX-A3122. Following Lipinski's Rule of Five, EX-A3122 has 3 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 EX-A3122?
The CAS number of EX-A3122 is 194098-25-4.
What is the molecular formula of EX-A3122?
The molecular formula of EX-A3122 is C17H19N3O2.
What is the molecular weight of EX-A3122?
The molecular weight of EX-A3122 is 297.15 g/mol.
Where can I buy EX-A3122?
You can request a quote for EX-A3122 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EX-A3122?
Yes, KEHONG BIO provides custom synthesis services for EX-A3122 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.