AI-942/8012963
TL;DR: AI-942/8012963 (CAS 59281-20-8) is a chemical compound with molecular formula C15H15NO6 and molecular weight 305.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-hydroxy-2-nitropropyl)-5-phenylmethoxypyran-4-one
Also Known As: 2-(1-hydroxy-2-nitropropyl)-5-phenylmethoxypyran-4-one, AI-942/8012963, 5-(benzyloxy)-2-(1-hydroxy-2-nitropropyl)-4H-pyran-4-one, AI-942/13332020, 4H-Pyran-4-one, 2-(1-hydroxy-2-nitropropyl)-5-(phenylmethoxy)-
| Molecular Formula | C15H15NO6 |
|---|---|
| Molecular Weight | 305.09 g/mol |
| LogP | 1.9174 |
| Topological Polar Surface Area | 102.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.08994 |
| Heavy Atoms | 22 |
| Complexity | 696.6789 |
Chemical Identifiers
| CAS Number | 59281-20-8 |
|---|---|
| SMILES | CC(C(C1=CC(=O)C(=CO1)OCC2=CC=CC=C2)O)[N+](=O)[O-] |
Product Overview
AI-942/8012963 (CAS 59281-20-8), with molecular formula C15H15NO6 and molecular weight 305.09 g/mol. IUPAC: 2-(1-hydroxy-2-nitropropyl)-5-phenylmethoxypyran-4-one.
Chemical Property Profile of AI-942/8012963
Property Insights of AI-942/8012963
The XLogP value of 1.9174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AI-942/8012963. The TPSA of 102.81 Ų falls within the moderate polarity range, balancing permeability and solubility for AI-942/8012963. Following Lipinski's Rule of Five, AI-942/8012963 has 1 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 AI-942/8012963?
The CAS number of AI-942/8012963 is 59281-20-8.
What is the molecular formula of AI-942/8012963?
The molecular formula of AI-942/8012963 is C15H15NO6.
What is the molecular weight of AI-942/8012963?
The molecular weight of AI-942/8012963 is 305.09 g/mol.
Where can I buy AI-942/8012963?
You can request a quote for AI-942/8012963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-942/8012963?
Yes, KEHONG BIO provides custom synthesis services for AI-942/8012963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.