OR 1246
TL;DR: OR 1246 (CAS 132759-68-3) is a chemical compound with molecular formula C12H13NO6 and molecular weight 267.07428 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3,4-dihydroxy-5-nitrophenyl)methyl]pentane-2,4-dione
Also Known As: OR 1246, 3-[(3,4-dihydroxy-5-nitrophenyl)methyl]pentane-2,4-dione, 3-((3,4-Dihydroxy-5-nitrophenyl)methyl)-2,5-pentanedione, 3-(3,4-Dihydroxy-5-nitrobenzyl)pentane-2,4-dione, 3-(3,4-Dihydroxy-5-nitrobenzyl)-2,4-pentanedione
Technical Specifications
| Molecular Formula | C12H13NO6 |
| Molecular Weight | 267.07428 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.07428 Da |
| Heavy Atoms | 19 |
| Complexity | 363.0 |
| SMILES | CC(=O)C(CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C(=O)C |
| InChIKey | PNLAJNRGHNFIDP-UHFFFAOYSA-N |
Chemical Property Profile of OR 1246
Property Insights of OR 1246
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for OR 1246. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for OR 1246. Following Lipinski's Rule of Five, OR 1246 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
What is the CAS number of OR 1246?
The CAS number of OR 1246 is 132759-68-3.
What is the molecular formula of OR 1246?
The molecular formula of OR 1246 is C12H13NO6.
What is the molecular weight of OR 1246?
The molecular weight of OR 1246 is 267.07428 g/mol.
Where can I buy OR 1246?
You can request a quote for OR 1246 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for OR 1246?
Yes, CoreyChem provides custom synthesis services for OR 1246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.