1,3-Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate
TL;DR: 1,3-Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate (CAS 100596-39-2) is a chemical compound with molecular formula C18H15NO9 and molecular weight 389.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(4-methoxycarbonyl-2-nitrophenoxy)benzene-1,3-dicarboxylate
Also Known As: 1,3-Benzenedicarboxylic acid, 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-, dimethyl ester, Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)isophthalate, dimethyl 5-(4-methoxycarbonyl-2-nitrophenoxy)benzene-1,3-dicarboxylate, 1,3-dimethyl 5-[4-(methoxycarbonyl)-2-nitrophenoxy]benzene-1,3-dicarboxylate, METHYL-3-NITRO-4-(3,5-DICARBOXYMETHYL-PHENOXY)-BENZOATE
| Molecular Formula | C18H15NO9 |
|---|---|
| Molecular Weight | 389.07 g/mol |
| LogP | 2.7469 |
| Topological Polar Surface Area | 131.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.07468 |
| Heavy Atoms | 28 |
| Complexity | 917.8176 |
Chemical Identifiers
| CAS Number | 100596-39-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)OC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)[N+](=O)[O-] |
Product Overview
1,3-Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate (CAS 100596-39-2), with molecular formula C18H15NO9 and molecular weight 389.07 g/mol. IUPAC: dimethyl 5-(4-methoxycarbonyl-2-nitrophenoxy)benzene-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate
Property Insights of 1,3-Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate
The XLogP value of 2.7469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate. The TPSA of 131.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate. Following Lipinski's Rule of Five, 1,3-Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate has 0 hydrogen bond donor(s) and 9 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 1,3-Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate?
The CAS number of 1,3-Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate is 100596-39-2.
What is the molecular formula of 1,3-Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate?
The molecular formula of 1,3-Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate is C18H15NO9.
What is the molecular weight of 1,3-Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate?
The molecular weight of 1,3-Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate is 389.07 g/mol.
Where can I buy 1,3-Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate?
You can request a quote for 1,3-Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl 5-(4-(methoxycarbonyl)-2-nitrophenoxy)-1,3-benzenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.