2,4-二氯-3,5-二硝基苯甲酸
TL;DR: 2,4-二氯-3,5-二硝基苯甲酸 (CAS 52729-03-0) is a chemical compound with molecular formula C7H2Cl2N2O6 and molecular weight 279.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-二氯-3,5-二硝基苯甲酸
2,4-dichloro-3,5-dinitrobenzoic acid
Also Known As: 2,4-Dichloro-3,5-dinitrobenzoic acid, 2,4-Dichloro-3,5-dinitro-benzoic acid, LABOTEST-BB LT00159518, Benzoic acid,2,4-dichloro-3,5-dinitro-, 2.4-Dichloro-3.5-dinitrobenzoic acid
| Molecular Formula | C7H2Cl2N2O6 |
|---|---|
| Molecular Weight | 279.93 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 279.929 |
| Heavy Atoms | 17 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 52729-03-0 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)C(=O)O |
| InChIKey | OCJYCLPVZHBZRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-二氯-3,5-二硝基苯甲酸 (CAS 52729-03-0), with molecular formula C7H2Cl2N2O6 and molecular weight 279.93 g/mol. IUPAC: 2,4-dichloro-3,5-dinitrobenzoic acid.
Chemical Property Profile of 2,4-二氯-3,5-二硝基苯甲酸
Property Insights of 2,4-二氯-3,5-二硝基苯甲酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-二氯-3,5-二硝基苯甲酸. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-二氯-3,5-二硝基苯甲酸. Following Lipinski's Rule of Five, 2,4-二氯-3,5-二硝基苯甲酸 has 1 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 2,4-二氯-3,5-二硝基苯甲酸?
The CAS number of 2,4-二氯-3,5-二硝基苯甲酸 is 52729-03-0.
What is the molecular formula of 2,4-二氯-3,5-二硝基苯甲酸?
The molecular formula of 2,4-二氯-3,5-二硝基苯甲酸 is C7H2Cl2N2O6.
What is the molecular weight of 2,4-二氯-3,5-二硝基苯甲酸?
The molecular weight of 2,4-二氯-3,5-二硝基苯甲酸 is 279.93 g/mol.
Where can I buy 2,4-二氯-3,5-二硝基苯甲酸?
You can request a quote for 2,4-二氯-3,5-二硝基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-二氯-3,5-二硝基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2,4-二氯-3,5-二硝基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.