Echinoramine I
TL;DR: Echinoramine I (CAS 59669-20-4) is a chemical compound with molecular formula C15H19N3O4 and molecular weight 305.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4-diamino-3-(1-methyl-4H-quinolin-4-yl)-4-oxobutaneperoxoate
Also Known As: Echinoramine I, methyl 2,4-diamino-3-(1-methyl-4H-quinolin-4-yl)-4-oxobutaneperoxoate, 4-Quinolinepropanoic acid, alpha-amino-beta-(aminocarbonyl)-1,4-dihydro-4-methoxy-1-methyl-, Methyl 2-amino-3-carbamoyl-3-(1-methyl-4H-quinolin-4-yl)propaneperoxoate, 3-Amino-2-(1-methyl-1,4-dihydroquinolin-4-yl)-4-(methylperoxy)-4-oxobutanimidic acid
| Molecular Formula | C15H19N3O4 |
|---|---|
| Molecular Weight | 305.14 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.13754 |
| Heavy Atoms | 22 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 59669-20-4 |
|---|---|
| SMILES | CN1C=CC(C2=CC=CC=C21)C(C(C(=O)OOC)N)C(=O)N |
| InChIKey | CRSIILIACFRLSS-UHFFFAOYSA-N |
Product Overview
Echinoramine I (CAS 59669-20-4), with molecular formula C15H19N3O4 and molecular weight 305.14 g/mol. IUPAC: methyl 2,4-diamino-3-(1-methyl-4H-quinolin-4-yl)-4-oxobutaneperoxoate.
Chemical Property Profile of Echinoramine I
Property Insights of Echinoramine I
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Echinoramine I. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Echinoramine I. Following Lipinski's Rule of Five, Echinoramine I has 2 hydrogen bond donor(s) and 6 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 Echinoramine I?
The CAS number of Echinoramine I is 59669-20-4.
What is the molecular formula of Echinoramine I?
The molecular formula of Echinoramine I is C15H19N3O4.
What is the molecular weight of Echinoramine I?
The molecular weight of Echinoramine I is 305.14 g/mol.
Where can I buy Echinoramine I?
You can request a quote for Echinoramine I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Echinoramine I?
Yes, KEHONG BIO provides custom synthesis services for Echinoramine I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.