2-Chloro-5-methylphenyl 3,5-dinitrobenzoate
TL;DR: 2-Chloro-5-methylphenyl 3,5-dinitrobenzoate (CAS 415691-31-5) is a chemical compound with molecular formula C14H9ClN2O6 and molecular weight 336.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-5-methylphenyl) 3,5-dinitrobenzoate
Also Known As: 2-chloro-5-methylphenyl 3,5-dinitrobenzoate, (2-chloro-5-methylphenyl) 3,5-dinitrobenzoate
| Molecular Formula | C14H9ClN2O6 |
|---|---|
| Molecular Weight | 336.01 g/mol |
| LogP | 3.68402 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.01492 |
| Heavy Atoms | 23 |
| Complexity | 788.66 |
Chemical Identifiers
| CAS Number | 415691-31-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)Cl)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-Chloro-5-methylphenyl 3,5-dinitrobenzoate (CAS 415691-31-5), with molecular formula C14H9ClN2O6 and molecular weight 336.01 g/mol. IUPAC: (2-chloro-5-methylphenyl) 3,5-dinitrobenzoate.
Chemical Property Profile of 2-Chloro-5-methylphenyl 3,5-dinitrobenzoate
Property Insights of 2-Chloro-5-methylphenyl 3,5-dinitrobenzoate
The XLogP value of 3.68402 indicates that 2-Chloro-5-methylphenyl 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-methylphenyl 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, 2-Chloro-5-methylphenyl 3,5-dinitrobenzoate 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 2-Chloro-5-methylphenyl 3,5-dinitrobenzoate?
The CAS number of 2-Chloro-5-methylphenyl 3,5-dinitrobenzoate is 415691-31-5.
What is the molecular formula of 2-Chloro-5-methylphenyl 3,5-dinitrobenzoate?
The molecular formula of 2-Chloro-5-methylphenyl 3,5-dinitrobenzoate is C14H9ClN2O6.
What is the molecular weight of 2-Chloro-5-methylphenyl 3,5-dinitrobenzoate?
The molecular weight of 2-Chloro-5-methylphenyl 3,5-dinitrobenzoate is 336.01 g/mol.
Where can I buy 2-Chloro-5-methylphenyl 3,5-dinitrobenzoate?
You can request a quote for 2-Chloro-5-methylphenyl 3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-methylphenyl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-methylphenyl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.