2,3-Dihydroxypropyl 3-nitrobenzoate
TL;DR: 2,3-Dihydroxypropyl 3-nitrobenzoate (CAS 51928-82-6) is a chemical compound with molecular formula C10H11NO6 and molecular weight 241.05864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dihydroxypropyl 3-nitrobenzoate
Also Known As: 2,3-dihydroxypropyl 3-nitrobenzoate, 3-Nitrobenzoic acid 2,3-dihydroxypropyl ester, 3-(beta,gamma-Dihydroxypropoxycarbonyl)nitrobenzene, BENZOIC ACID, 3-NITRO-, 2,3-DIHYDROXYPROPYL ESTER, BRN 2139961
Technical Specifications
| Molecular Formula | C10H11NO6 |
| Molecular Weight | 241.05864 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.05864 Da |
| Heavy Atoms | 17 |
| Complexity | 276.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(CO)O |
| InChIKey | DEPIJCMSSIVPDJ-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Dihydroxypropyl 3-nitrobenzoate
Property Insights of 2,3-Dihydroxypropyl 3-nitrobenzoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydroxypropyl 3-nitrobenzoate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydroxypropyl 3-nitrobenzoate. Following Lipinski's Rule of Five, 2,3-Dihydroxypropyl 3-nitrobenzoate 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 2,3-Dihydroxypropyl 3-nitrobenzoate?
The CAS number of 2,3-Dihydroxypropyl 3-nitrobenzoate is 51928-82-6.
What is the molecular formula of 2,3-Dihydroxypropyl 3-nitrobenzoate?
The molecular formula of 2,3-Dihydroxypropyl 3-nitrobenzoate is C10H11NO6.
What is the molecular weight of 2,3-Dihydroxypropyl 3-nitrobenzoate?
The molecular weight of 2,3-Dihydroxypropyl 3-nitrobenzoate is 241.05864 g/mol.
Where can I buy 2,3-Dihydroxypropyl 3-nitrobenzoate?
You can request a quote for 2,3-Dihydroxypropyl 3-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Dihydroxypropyl 3-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for 2,3-Dihydroxypropyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.