3,5-Dinitro-benzoic acid benzyl ester
TL;DR: 3,5-Dinitro-benzoic acid benzyl ester (CAS 10478-07-6) is a chemical compound with molecular formula C14H10N2O6 and molecular weight 302.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3,5-dinitrobenzoate
Also Known As: Benzyl 3,5-dinitrobenzoate, Benzyl 3,5-dinitrobenzoate?, Benzoic acid, 3,5-dinitro-, phenylmethyl ester, 3,5-Dinitrobenzoic acid benzyl ester, 3,5-DINITRO-BENZOIC ACID BENZYL ESTER
| Molecular Formula | C14H10N2O6 |
|---|---|
| Molecular Weight | 302.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.0539 |
| Heavy Atoms | 22 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 10478-07-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ULVFRRGXEDYWEM-UHFFFAOYSA-N |
Product Overview
3,5-Dinitro-benzoic acid benzyl ester (CAS 10478-07-6), with molecular formula C14H10N2O6 and molecular weight 302.05 g/mol. IUPAC: benzyl 3,5-dinitrobenzoate.
Chemical Property Profile of 3,5-Dinitro-benzoic acid benzyl ester
Property Insights of 3,5-Dinitro-benzoic acid benzyl ester
The XLogP value of 3.6 indicates that 3,5-Dinitro-benzoic acid benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dinitro-benzoic acid benzyl ester. Following Lipinski's Rule of Five, 3,5-Dinitro-benzoic acid benzyl ester 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 3,5-Dinitro-benzoic acid benzyl ester?
The CAS number of 3,5-Dinitro-benzoic acid benzyl ester is 10478-07-6.
What is the molecular formula of 3,5-Dinitro-benzoic acid benzyl ester?
The molecular formula of 3,5-Dinitro-benzoic acid benzyl ester is C14H10N2O6.
What is the molecular weight of 3,5-Dinitro-benzoic acid benzyl ester?
The molecular weight of 3,5-Dinitro-benzoic acid benzyl ester is 302.05 g/mol.
Where can I buy 3,5-Dinitro-benzoic acid benzyl ester?
You can request a quote for 3,5-Dinitro-benzoic acid benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dinitro-benzoic acid benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitro-benzoic acid benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.