(6-Nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate
TL;DR: (6-Nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate (CAS 331460-10-7) is a chemical compound with molecular formula C15H10N2O8 and molecular weight 346.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzoate
Also Known As: (6-nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate, (6-nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzoate, (6-nitro-2H-1,3-benzodioxol-5-yl)methyl 4-nitrobenzoate, (6-nitro-2H-1,3-benzodioxol-5-yl)methyl4-nitrobenzoate
| Molecular Formula | C15H10N2O8 |
|---|---|
| Molecular Weight | 346.04 g/mol |
| LogP | 2.5887 |
| Topological Polar Surface Area | 131.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.0437 |
| Heavy Atoms | 25 |
| Complexity | 862.58026 |
Chemical Identifiers
| CAS Number | 331460-10-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(6-Nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate (CAS 331460-10-7), with molecular formula C15H10N2O8 and molecular weight 346.04 g/mol. IUPAC: (6-nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzoate.
Chemical Property Profile of (6-Nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate
Property Insights of (6-Nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate
The XLogP value of 2.5887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate. The TPSA of 131.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (6-Nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, (6-Nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate has 0 hydrogen bond donor(s) and 8 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 (6-Nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate?
The CAS number of (6-Nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate is 331460-10-7.
What is the molecular formula of (6-Nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate?
The molecular formula of (6-Nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate is C15H10N2O8.
What is the molecular weight of (6-Nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate?
The molecular weight of (6-Nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate is 346.04 g/mol.
Where can I buy (6-Nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate?
You can request a quote for (6-Nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (6-Nitro-1,3-benzodioxol-5-yl)methyl 4-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.