双(2,4-二氯-6-硝基苯基)碳酸酯
TL;DR: 双(2,4-二氯-6-硝基苯基)碳酸酯 (CAS 52715-98-7) is a chemical compound with molecular formula C13H4Cl4N2O7 and molecular weight 439.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(2,4-二氯-6-硝基苯基)碳酸酯
bis(2,4-dichloro-6-nitrophenyl) carbonate
Also Known As: bis(2,4-dichloro-6-nitrophenyl) carbonate, 5,9-Hexacosadienoic acid,(5Z,9Z)
| Molecular Formula | C13H4Cl4N2O7 |
|---|---|
| Molecular Weight | 439.88 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.87726 |
| Heavy Atoms | 26 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 52715-98-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])OC(=O)OC2=C(C=C(C=C2Cl)Cl)[N+](=O)[O-])Cl)Cl |
| InChIKey | NELPXZSFDMJQMS-UHFFFAOYSA-N |
Product Overview
双(2,4-二氯-6-硝基苯基)碳酸酯 (CAS 52715-98-7), with molecular formula C13H4Cl4N2O7 and molecular weight 439.88 g/mol. IUPAC: bis(2,4-dichloro-6-nitrophenyl) carbonate.
Chemical Property Profile of 双(2,4-二氯-6-硝基苯基)碳酸酯
Property Insights of 双(2,4-二氯-6-硝基苯基)碳酸酯
The XLogP value of 5.8 indicates that 双(2,4-二氯-6-硝基苯基)碳酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 双(2,4-二氯-6-硝基苯基)碳酸酯. Following Lipinski's Rule of Five, 双(2,4-二氯-6-硝基苯基)碳酸酯 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 双(2,4-二氯-6-硝基苯基)碳酸酯?
The CAS number of 双(2,4-二氯-6-硝基苯基)碳酸酯 is 52715-98-7.
What is the molecular formula of 双(2,4-二氯-6-硝基苯基)碳酸酯?
The molecular formula of 双(2,4-二氯-6-硝基苯基)碳酸酯 is C13H4Cl4N2O7.
What is the molecular weight of 双(2,4-二氯-6-硝基苯基)碳酸酯?
The molecular weight of 双(2,4-二氯-6-硝基苯基)碳酸酯 is 439.88 g/mol.
Where can I buy 双(2,4-二氯-6-硝基苯基)碳酸酯?
You can request a quote for 双(2,4-二氯-6-硝基苯基)碳酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(2,4-二氯-6-硝基苯基)碳酸酯?
Yes, KEHONG BIO provides custom synthesis services for 双(2,4-二氯-6-硝基苯基)碳酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.