Malonsaure-bis-(p-nitrophenyl)-ester
TL;DR: Malonsaure-bis-(p-nitrophenyl)-ester (CAS 5070-12-2) 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.
bis(4-nitrophenyl) propanedioate
Also Known As: Bis(4-nitrophenyl) Propanedioate, Malonsaure-bis-(p-nitrophenyl)-ester, malonic acid bis-(4-nitro-phenyl) ester
| Molecular Formula | C15H10N2O8 |
|---|---|
| Molecular Weight | 346.04 g/mol |
| LogP | 2.4041 |
| Topological Polar Surface Area | 138.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.0437 |
| Heavy Atoms | 25 |
| Complexity | 744.92993 |
Chemical Identifiers
| CAS Number | 5070-12-2 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Malonsaure-bis-(p-nitrophenyl)-ester (CAS 5070-12-2), with molecular formula C15H10N2O8 and molecular weight 346.04 g/mol. IUPAC: bis(4-nitrophenyl) propanedioate.
Chemical Property Profile of Malonsaure-bis-(p-nitrophenyl)-ester
Property Insights of Malonsaure-bis-(p-nitrophenyl)-ester
The XLogP value of 2.4041 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malonsaure-bis-(p-nitrophenyl)-ester. The TPSA of 138.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Malonsaure-bis-(p-nitrophenyl)-ester. Following Lipinski's Rule of Five, Malonsaure-bis-(p-nitrophenyl)-ester 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 Malonsaure-bis-(p-nitrophenyl)-ester?
The CAS number of Malonsaure-bis-(p-nitrophenyl)-ester is 5070-12-2.
What is the molecular formula of Malonsaure-bis-(p-nitrophenyl)-ester?
The molecular formula of Malonsaure-bis-(p-nitrophenyl)-ester is C15H10N2O8.
What is the molecular weight of Malonsaure-bis-(p-nitrophenyl)-ester?
The molecular weight of Malonsaure-bis-(p-nitrophenyl)-ester is 346.04 g/mol.
Where can I buy Malonsaure-bis-(p-nitrophenyl)-ester?
You can request a quote for Malonsaure-bis-(p-nitrophenyl)-ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonsaure-bis-(p-nitrophenyl)-ester?
Yes, KEHONG BIO provides custom synthesis services for Malonsaure-bis-(p-nitrophenyl)-ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.