对氯苯甲酸2,4-二硝基苯酯
TL;DR: 对氯苯甲酸2,4-二硝基苯酯 (CAS 32792-54-4) is a chemical compound with molecular formula C13H7ClN2O6 and molecular weight 322.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对氯苯甲酸2,4-二硝基苯酯
(2,4-dinitrophenyl) 4-chlorobenzoate
Also Known As: 4-Chlorobenzoic acid 2,4-dinitrophenyl ester, 2,4-dinitrophenyl 4-chlorobenzoate, (2,4-dinitrophenyl) 4-chlorobenzoate, 2,4-dinitrophenyl p-chlorobenzoate, 4-Chlorobenzoicacid2,4-dinitrophenylester
| Molecular Formula | C13H7ClN2O6 |
|---|---|
| Molecular Weight | 322.00 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.99927 |
| Heavy Atoms | 22 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 32792-54-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl |
| InChIKey | SJFABTRXLXVFME-UHFFFAOYSA-N |
Product Overview
对氯苯甲酸2,4-二硝基苯酯 (CAS 32792-54-4), with molecular formula C13H7ClN2O6 and molecular weight 322.00 g/mol. IUPAC: (2,4-dinitrophenyl) 4-chlorobenzoate.
Chemical Property Profile of 对氯苯甲酸2,4-二硝基苯酯
Property Insights of 对氯苯甲酸2,4-二硝基苯酯
The XLogP value of 3.6 indicates that 对氯苯甲酸2,4-二硝基苯酯 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 对氯苯甲酸2,4-二硝基苯酯. Following Lipinski's Rule of Five, 对氯苯甲酸2,4-二硝基苯酯 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 对氯苯甲酸2,4-二硝基苯酯?
The CAS number of 对氯苯甲酸2,4-二硝基苯酯 is 32792-54-4.
What is the molecular formula of 对氯苯甲酸2,4-二硝基苯酯?
The molecular formula of 对氯苯甲酸2,4-二硝基苯酯 is C13H7ClN2O6.
What is the molecular weight of 对氯苯甲酸2,4-二硝基苯酯?
The molecular weight of 对氯苯甲酸2,4-二硝基苯酯 is 322.00 g/mol.
Where can I buy 对氯苯甲酸2,4-二硝基苯酯?
You can request a quote for 对氯苯甲酸2,4-二硝基苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对氯苯甲酸2,4-二硝基苯酯?
Yes, KEHONG BIO provides custom synthesis services for 对氯苯甲酸2,4-二硝基苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.