![3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol structure](/static/products/166/166403-85-6.png)
3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol
TL;DR: 3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol (CAS 166403-85-6) is a chemical compound with molecular formula C12H13N3O4 and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-nitroquinolin-4-yl)amino]propane-1,2-diol
Also Known As: NCI60_016202, 3-[(5-nitroquinolin-4-yl)amino]propane-1,2-diol, 1,2-propanediol, 3-[(5-nitro-4-quinolinyl)amino]-, 3-[(5-nitro-4-quinolyl)amino]propane-1,2-diol, 4-[(2,3-Dihydroxypropyl)amino]-5-nitroquinoline
| Molecular Formula | C12H13N3O4 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.0906 |
| Heavy Atoms | 19 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 166403-85-6 |
|---|---|
| SMILES | C1=CC2=NC=CC(=C2C(=C1)[N+](=O)[O-])NCC(CO)O |
| InChIKey | KJGLKYMXDHYJFX-UHFFFAOYSA-N |
Product Overview
3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol (CAS 166403-85-6), with molecular formula C12H13N3O4 and molecular weight 263.09 g/mol. IUPAC: 3-[(5-nitroquinolin-4-yl)amino]propane-1,2-diol.
Chemical Property Profile of 3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol
Property Insights of 3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol. Following Lipinski's Rule of Five, 3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol has 3 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 3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol?
The CAS number of 3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol is 166403-85-6.
What is the molecular formula of 3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol?
The molecular formula of 3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol is C12H13N3O4.
What is the molecular weight of 3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol?
The molecular weight of 3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol is 263.09 g/mol.
Where can I buy 3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol?
You can request a quote for 3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-Nitro-4-quinolyl)amino]propane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.