![Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate structure](/static/products/1134/113489-34-2.webp)
Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate
TL;DR: Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate (CAS 113489-34-2) is a chemical compound with molecular formula C21H18N2O12 and molecular weight 490.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate
Also Known As: bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate, AA-768/31128037, 1,5-bis[(6-nitro-2H-1,3-benzodioxol-5-yl)methyl] pentanedioate, bis({6-nitro-1,3-benzodioxol-5-yl}methyl) pentanedioate, 1,5-bis[(6-nitro-2H-1,3-benzodioxol-5-yl)methyl]pentanedioate
| Molecular Formula | C21H18N2O12 |
|---|---|
| Molecular Weight | 490.09 g/mol |
| LogP | 2.9173 |
| Topological Polar Surface Area | 175.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 490.08597 |
| Heavy Atoms | 35 |
| Complexity | 1103.8129 |
Chemical Identifiers
| CAS Number | 113489-34-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)COC(=O)CCCC(=O)OCC3=CC4=C(C=C3[N+](=O)[O-])OCO4)[N+](=O)[O-] |
Product Overview
Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate (CAS 113489-34-2), with molecular formula C21H18N2O12 and molecular weight 490.09 g/mol. IUPAC: bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate.
Chemical Property Profile of Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate
Property Insights of Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate
The XLogP value of 2.9173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate. The TPSA of 175.8 Ų indicates high polarity, suggesting Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate?
The CAS number of Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate is 113489-34-2.
What is the molecular formula of Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate?
The molecular formula of Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate is C21H18N2O12.
What is the molecular weight of Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate?
The molecular weight of Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate is 490.09 g/mol.
Where can I buy Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate?
You can request a quote for Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis[(6-nitro-1,3-benzodioxol-5-yl)methyl] pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.