Propyl 3,5-dinitrobenzoate
TL;DR: Propyl 3,5-dinitrobenzoate (CAS 10478-00-9) is a chemical compound with molecular formula C10H10N2O6 and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 3,5-dinitrobenzoate
Also Known As: propyl 3,5-dinitrobenzoate, 3,5-Dinitrobenzoesaure-n-propylester, 3,5-dinitro-benzoic acid, propyl ester
| Molecular Formula | C10H10N2O6 |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.05388 |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 10478-00-9 |
|---|---|
| SMILES | CCCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DAUPVRJTSBTYTP-UHFFFAOYSA-N |
Product Overview
Propyl 3,5-dinitrobenzoate (CAS 10478-00-9), with molecular formula C10H10N2O6 and molecular weight 254.05 g/mol. IUPAC: propyl 3,5-dinitrobenzoate.
Chemical Property Profile of Propyl 3,5-dinitrobenzoate
Property Insights of Propyl 3,5-dinitrobenzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 3,5-dinitrobenzoate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, Propyl 3,5-dinitrobenzoate has 0 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 Propyl 3,5-dinitrobenzoate?
The CAS number of Propyl 3,5-dinitrobenzoate is 10478-00-9.
What is the molecular formula of Propyl 3,5-dinitrobenzoate?
The molecular formula of Propyl 3,5-dinitrobenzoate is C10H10N2O6.
What is the molecular weight of Propyl 3,5-dinitrobenzoate?
The molecular weight of Propyl 3,5-dinitrobenzoate is 254.05 g/mol.
Where can I buy Propyl 3,5-dinitrobenzoate?
You can request a quote for Propyl 3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.