A4UN4XNY1I
TL;DR: A4UN4XNY1I (CAS 86144-46-9) is a chemical compound with molecular formula C15H19N3O3 and molecular weight 289.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione
Also Known As: 3-(4-Ethoxyphenyl)tetrahydro-1H,7H-pyrazolo(1,2-a)(1,2,5)triazepine-1,5(2H)-dione, 3-(4-ethoxyphenyl)-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2, 3-(4-ethoxyphenyl)-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione, 3-(4-Ethoxyphenyl)tetrahydro-1H,7H-pyrazolo[1,2-a][1,2,5]triazepine-1,5(2H)-dione, 4-(4-ethoxyphenyl)-1,4,7-triazabicyclo[5.3.0]decane-2,6-dione
| Molecular Formula | C15H19N3O3 |
|---|---|
| Molecular Weight | 289.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.14264 |
| Heavy Atoms | 21 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 86144-46-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2CC(=O)N3CCCN3C(=O)C2 |
| InChIKey | OQNUWLCNRPTUJD-UHFFFAOYSA-N |
Product Overview
A4UN4XNY1I (CAS 86144-46-9), with molecular formula C15H19N3O3 and molecular weight 289.14 g/mol. IUPAC: 3-(4-ethoxyphenyl)-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione.
Chemical Property Profile of A4UN4XNY1I
Property Insights of A4UN4XNY1I
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4UN4XNY1I. With a topological polar surface area (TPSA) of 53.1 Ų, A4UN4XNY1I exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4UN4XNY1I has 0 hydrogen bond donor(s) and 4 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 A4UN4XNY1I?
The CAS number of A4UN4XNY1I is 86144-46-9.
What is the molecular formula of A4UN4XNY1I?
The molecular formula of A4UN4XNY1I is C15H19N3O3.
What is the molecular weight of A4UN4XNY1I?
The molecular weight of A4UN4XNY1I is 289.14 g/mol.
Where can I buy A4UN4XNY1I?
You can request a quote for A4UN4XNY1I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4UN4XNY1I?
Yes, KEHONG BIO provides custom synthesis services for A4UN4XNY1I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.