4-硝基苯甲酸 2,4-二氯苯酯
TL;DR: 4-硝基苯甲酸 2,4-二氯苯酯 (CAS 62922-45-6) is a chemical compound with molecular formula C13H7Cl2NO4 and molecular weight 310.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-硝基苯甲酸 2,4-二氯苯酯
(2,4-dichlorophenyl) 4-nitrobenzoate
Also Known As: 4-Nitro-benzoic acid 2,4-dichloro-phenyl ester, (2,4-dichlorophenyl) 4-nitrobenzoate, (2,4-dichlorophenyl)4-nitrobenzoate, 2,4-DICHLOROPHENYL 4-NITROBENZOATE, BAS 04456629
| Molecular Formula | C13H7Cl2NO4 |
|---|---|
| Molecular Weight | 310.98 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.97522 |
| Heavy Atoms | 20 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 62922-45-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] |
| InChIKey | JOLOVOQCEFGUGN-UHFFFAOYSA-N |
Product Overview
4-硝基苯甲酸 2,4-二氯苯酯 (CAS 62922-45-6), with molecular formula C13H7Cl2NO4 and molecular weight 310.98 g/mol. IUPAC: (2,4-dichlorophenyl) 4-nitrobenzoate.
Chemical Property Profile of 4-硝基苯甲酸 2,4-二氯苯酯
Property Insights of 4-硝基苯甲酸 2,4-二氯苯酯
The XLogP value of 4.6 indicates that 4-硝基苯甲酸 2,4-二氯苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基苯甲酸 2,4-二氯苯酯. Following Lipinski's Rule of Five, 4-硝基苯甲酸 2,4-二氯苯酯 has 0 hydrogen bond donor(s) and 4 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 4-硝基苯甲酸 2,4-二氯苯酯?
The CAS number of 4-硝基苯甲酸 2,4-二氯苯酯 is 62922-45-6.
What is the molecular formula of 4-硝基苯甲酸 2,4-二氯苯酯?
The molecular formula of 4-硝基苯甲酸 2,4-二氯苯酯 is C13H7Cl2NO4.
What is the molecular weight of 4-硝基苯甲酸 2,4-二氯苯酯?
The molecular weight of 4-硝基苯甲酸 2,4-二氯苯酯 is 310.98 g/mol.
Where can I buy 4-硝基苯甲酸 2,4-二氯苯酯?
You can request a quote for 4-硝基苯甲酸 2,4-二氯苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基苯甲酸 2,4-二氯苯酯?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基苯甲酸 2,4-二氯苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.