Heptanedioic acid, 4-nitro-, diethyl ester
TL;DR: Heptanedioic acid, 4-nitro-, diethyl ester (CAS 2985-49-1) is a chemical compound with molecular formula C11H19NO6 and molecular weight 261.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-nitroheptanedioate
Also Known As: Diethyl 4-nitroheptanedioate, Heptanedioic acid, 4-nitro-, diethyl ester, 4-Nitroheptanedioic acid diethyl ester, 1,7-DIETHYL 4-NITROHEPTANEDIOATE, J3.079.942I
| Molecular Formula | C11H19NO6 |
|---|---|
| Molecular Weight | 261.12 g/mol |
| LogP | 1.3183 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 261.12125 |
| Heavy Atoms | 18 |
| Complexity | 269.25803 |
Chemical Identifiers
| CAS Number | 2985-49-1 |
|---|---|
| SMILES | CCOC(=O)CCC(CCC(=O)OCC)[N+](=O)[O-] |
Product Overview
Heptanedioic acid, 4-nitro-, diethyl ester (CAS 2985-49-1), with molecular formula C11H19NO6 and molecular weight 261.12 g/mol. IUPAC: diethyl 4-nitroheptanedioate.
Chemical Property Profile of Heptanedioic acid, 4-nitro-, diethyl ester
Property Insights of Heptanedioic acid, 4-nitro-, diethyl ester
The XLogP value of 1.3183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanedioic acid, 4-nitro-, diethyl ester. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptanedioic acid, 4-nitro-, diethyl ester. Following Lipinski's Rule of Five, Heptanedioic acid, 4-nitro-, diethyl ester 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 Heptanedioic acid, 4-nitro-, diethyl ester?
The CAS number of Heptanedioic acid, 4-nitro-, diethyl ester is 2985-49-1.
What is the molecular formula of Heptanedioic acid, 4-nitro-, diethyl ester?
The molecular formula of Heptanedioic acid, 4-nitro-, diethyl ester is C11H19NO6.
What is the molecular weight of Heptanedioic acid, 4-nitro-, diethyl ester?
The molecular weight of Heptanedioic acid, 4-nitro-, diethyl ester is 261.12 g/mol.
Where can I buy Heptanedioic acid, 4-nitro-, diethyl ester?
You can request a quote for Heptanedioic acid, 4-nitro-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptanedioic acid, 4-nitro-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptanedioic acid, 4-nitro-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.