2,3-Dihydroxypropyl 2,4-dinitrobenzoate
TL;DR: 2,3-Dihydroxypropyl 2,4-dinitrobenzoate (CAS 27913-69-5) is a chemical compound with molecular formula C10H10N2O8 and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxypropyl 2,4-dinitrobenzoate
Also Known As: 2,3-dihydroxypropyl 2,4-dinitrobenzoate
| Molecular Formula | C10H10N2O8 |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 0.013 |
| Topological Polar Surface Area | 153.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.0437 |
| Heavy Atoms | 20 |
| Complexity | 544.05914 |
Chemical Identifiers
| CAS Number | 27913-69-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC(CO)O |
Product Overview
2,3-Dihydroxypropyl 2,4-dinitrobenzoate (CAS 27913-69-5), with molecular formula C10H10N2O8 and molecular weight 286.04 g/mol. IUPAC: 2,3-dihydroxypropyl 2,4-dinitrobenzoate.
Chemical Property Profile of 2,3-Dihydroxypropyl 2,4-dinitrobenzoate
Property Insights of 2,3-Dihydroxypropyl 2,4-dinitrobenzoate
The XLogP value of 0.013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydroxypropyl 2,4-dinitrobenzoate. The TPSA of 153.04 Ų indicates high polarity, suggesting 2,3-Dihydroxypropyl 2,4-dinitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3-Dihydroxypropyl 2,4-dinitrobenzoate has 2 hydrogen bond donor(s) and 8 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 2,3-Dihydroxypropyl 2,4-dinitrobenzoate?
The CAS number of 2,3-Dihydroxypropyl 2,4-dinitrobenzoate is 27913-69-5.
What is the molecular formula of 2,3-Dihydroxypropyl 2,4-dinitrobenzoate?
The molecular formula of 2,3-Dihydroxypropyl 2,4-dinitrobenzoate is C10H10N2O8.
What is the molecular weight of 2,3-Dihydroxypropyl 2,4-dinitrobenzoate?
The molecular weight of 2,3-Dihydroxypropyl 2,4-dinitrobenzoate is 286.04 g/mol.
Where can I buy 2,3-Dihydroxypropyl 2,4-dinitrobenzoate?
You can request a quote for 2,3-Dihydroxypropyl 2,4-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydroxypropyl 2,4-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydroxypropyl 2,4-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.