AI-020/34045029
TL;DR: AI-020/34045029 (CAS 174314-84-2) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,9-dimethoxy-5,5-dimethyl-2-nitroso-6H-pyrrolo[2,1-a]isoquinolin-3-ol
Also Known As: AI-020/34045029, (2E)-2-hydroxyimino-8,9-dimethoxy-5,5-dimethyl-6H-pyrrolo[2,1-a]isoquinolin-3-one, (2Z)-2-hydroxyimino-8,9-dimethoxy-5,5-dimethyl-6H-pyrrolo[2,1-a]isoquinolin-3-one, 2-hydroxyimino-8,9-dimethoxy-5,5-dimethyl-6H-pyrrolo[2,1-a]isoquinolin-3-one, 8,9-dimethoxy-5,5-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione 2-oxime
| Molecular Formula | C16H18N2O4 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 3.567 |
| Topological Polar Surface Area | 73.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.12665 |
| Heavy Atoms | 22 |
| Complexity | 761.9917 |
Chemical Identifiers
| CAS Number | 174314-84-2 |
|---|---|
| SMILES | CC1(CC2=CC(=C(C=C2C3=CC(=C(N31)O)N=O)OC)OC)C |
Product Overview
AI-020/34045029 (CAS 174314-84-2), with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol. IUPAC: 8,9-dimethoxy-5,5-dimethyl-2-nitroso-6H-pyrrolo[2,1-a]isoquinolin-3-ol.
Chemical Property Profile of AI-020/34045029
Property Insights of AI-020/34045029
The XLogP value of 3.567 indicates that AI-020/34045029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.05 Ų falls within the moderate polarity range, balancing permeability and solubility for AI-020/34045029. Following Lipinski's Rule of Five, AI-020/34045029 has 1 hydrogen bond donor(s) and 5 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 AI-020/34045029?
The CAS number of AI-020/34045029 is 174314-84-2.
What is the molecular formula of AI-020/34045029?
The molecular formula of AI-020/34045029 is C16H18N2O4.
What is the molecular weight of AI-020/34045029?
The molecular weight of AI-020/34045029 is 302.13 g/mol.
Where can I buy AI-020/34045029?
You can request a quote for AI-020/34045029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-020/34045029?
Yes, KEHONG BIO provides custom synthesis services for AI-020/34045029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.