Benzoic acid, 3,5-dinitro-, cyclohexyl ester
TL;DR: Benzoic acid, 3,5-dinitro-, cyclohexyl ester (CAS 1158-19-6) is a chemical compound with molecular formula C13H14N2O6 and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 3,5-dinitrobenzoate
Also Known As: cyclohexyl 3,5-dinitrobenzoate, Cyclohexanol, 3,5-dinitrobenzoate, 3,5-Dinitro-benzoic acid cyclohexyl ester, Benzoic acid, 3,5-dinitro-, cyclohexyl ester, BAS 00068116
| Molecular Formula | C13H14N2O6 |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 2.9925 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.08517 |
| Heavy Atoms | 21 |
| Complexity | 547.77423 |
Chemical Identifiers
| CAS Number | 1158-19-6 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Benzoic acid, 3,5-dinitro-, cyclohexyl ester (CAS 1158-19-6), with molecular formula C13H14N2O6 and molecular weight 294.09 g/mol. IUPAC: cyclohexyl 3,5-dinitrobenzoate.
Chemical Property Profile of Benzoic acid, 3,5-dinitro-, cyclohexyl ester
Property Insights of Benzoic acid, 3,5-dinitro-, cyclohexyl ester
The XLogP value of 2.9925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,5-dinitro-, cyclohexyl ester. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,5-dinitro-, cyclohexyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,5-dinitro-, cyclohexyl 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 Benzoic acid, 3,5-dinitro-, cyclohexyl ester?
The CAS number of Benzoic acid, 3,5-dinitro-, cyclohexyl ester is 1158-19-6.
What is the molecular formula of Benzoic acid, 3,5-dinitro-, cyclohexyl ester?
The molecular formula of Benzoic acid, 3,5-dinitro-, cyclohexyl ester is C13H14N2O6.
What is the molecular weight of Benzoic acid, 3,5-dinitro-, cyclohexyl ester?
The molecular weight of Benzoic acid, 3,5-dinitro-, cyclohexyl ester is 294.09 g/mol.
Where can I buy Benzoic acid, 3,5-dinitro-, cyclohexyl ester?
You can request a quote for Benzoic acid, 3,5-dinitro-, cyclohexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,5-dinitro-, cyclohexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,5-dinitro-, cyclohexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.