Dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate
TL;DR: Dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate (CAS 91599-68-7) is a chemical compound with molecular formula C16H10Cl3NO7 and molecular weight 432.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate
Also Known As: BAS 00327215, dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate, dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)terephthalate, 2-Nitro-5-(2,4,5-trichloro-phenoxy)-terephthalic acid dimethyl ester, methyl 4-(methoxycarbonyl)-2-nitro-5-(2,4,5-trichlorophenoxy)benzoate
| Molecular Formula | C16H10Cl3NO7 |
|---|---|
| Molecular Weight | 432.95 g/mol |
| LogP | 4.9205 |
| Topological Polar Surface Area | 104.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.95227 |
| Heavy Atoms | 27 |
| Complexity | 946.0965 |
Chemical Identifiers
| CAS Number | 91599-68-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1OC2=CC(=C(C=C2Cl)Cl)Cl)C(=O)OC)[N+](=O)[O-] |
Product Overview
Dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate (CAS 91599-68-7), with molecular formula C16H10Cl3NO7 and molecular weight 432.95 g/mol. IUPAC: dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate
Property Insights of Dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate
The XLogP value of 4.9205 indicates that Dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate has 0 hydrogen bond donor(s) and 7 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 Dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate?
The CAS number of Dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate is 91599-68-7.
What is the molecular formula of Dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate?
The molecular formula of Dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate is C16H10Cl3NO7.
What is the molecular weight of Dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate?
The molecular weight of Dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate is 432.95 g/mol.
Where can I buy Dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate?
You can request a quote for Dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-nitro-5-(2,4,5-trichlorophenoxy)benzene-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.