Diethyl 2-(2-nitroethyl)butanedioate
TL;DR: Diethyl 2-(2-nitroethyl)butanedioate (CAS 91902-03-3) is a chemical compound with molecular formula C10H17NO6 and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2-nitroethyl)butanedioate
Also Known As: diethyl 2-(2-nitroethyl)butanedioate, (2-nitro-ethyl)-succinic acid diethyl ester, 3-Pyridinesulfonic acid,6-mercapto-,1-oxide
| Molecular Formula | C10H17NO6 |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 247.10559 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 91902-03-3 |
|---|---|
| SMILES | CCOC(=O)CC(CC[N+](=O)[O-])C(=O)OCC |
| InChIKey | VPSJBBHICVFPEJ-UHFFFAOYSA-N |
Product Overview
Diethyl 2-(2-nitroethyl)butanedioate (CAS 91902-03-3), with molecular formula C10H17NO6 and molecular weight 247.11 g/mol. IUPAC: diethyl 2-(2-nitroethyl)butanedioate.
Chemical Property Profile of Diethyl 2-(2-nitroethyl)butanedioate
Property Insights of Diethyl 2-(2-nitroethyl)butanedioate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(2-nitroethyl)butanedioate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(2-nitroethyl)butanedioate. Following Lipinski's Rule of Five, Diethyl 2-(2-nitroethyl)butanedioate has 0 hydrogen bond donor(s) and 6 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 Diethyl 2-(2-nitroethyl)butanedioate?
The CAS number of Diethyl 2-(2-nitroethyl)butanedioate is 91902-03-3.
What is the molecular formula of Diethyl 2-(2-nitroethyl)butanedioate?
The molecular formula of Diethyl 2-(2-nitroethyl)butanedioate is C10H17NO6.
What is the molecular weight of Diethyl 2-(2-nitroethyl)butanedioate?
The molecular weight of Diethyl 2-(2-nitroethyl)butanedioate is 247.11 g/mol.
Where can I buy Diethyl 2-(2-nitroethyl)butanedioate?
You can request a quote for Diethyl 2-(2-nitroethyl)butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(2-nitroethyl)butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(2-nitroethyl)butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.