4-(2-Carboxyethyl)-4-nitroheptanedioic acid
TL;DR: 4-(2-Carboxyethyl)-4-nitroheptanedioic acid (CAS 59085-15-3) is a chemical compound with molecular formula C10H15NO8 and molecular weight 277.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-carboxyethyl)-4-nitroheptanedioic acid
Also Known As: 4-(2-Carboxyethyl)-4-nitroheptanedioic acid, Nitromethanetrispropionic acid, 4-(2-Carboxyethyl)-4-nitro heptanedioic acid, Tris(2-carboxyethyl)nitromethane, 1H-1,2,4-Triazole-3-methanamine
| Molecular Formula | C10H15NO8 |
|---|---|
| Molecular Weight | 277.08 g/mol |
| LogP | 0.5963 |
| Topological Polar Surface Area | 155.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 277.07977 |
| Heavy Atoms | 19 |
| Complexity | 332.17706 |
Chemical Identifiers
| CAS Number | 59085-15-3 |
|---|---|
| SMILES | C(CC(CCC(=O)O)(CCC(=O)O)[N+](=O)[O-])C(=O)O |
Product Overview
4-(2-Carboxyethyl)-4-nitroheptanedioic acid (CAS 59085-15-3), with molecular formula C10H15NO8 and molecular weight 277.08 g/mol. IUPAC: 4-(2-carboxyethyl)-4-nitroheptanedioic acid.
Chemical Property Profile of 4-(2-Carboxyethyl)-4-nitroheptanedioic acid
Property Insights of 4-(2-Carboxyethyl)-4-nitroheptanedioic acid
The XLogP value of 0.5963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Carboxyethyl)-4-nitroheptanedioic acid. The TPSA of 155.04 Ų indicates high polarity, suggesting 4-(2-Carboxyethyl)-4-nitroheptanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(2-Carboxyethyl)-4-nitroheptanedioic acid has 3 hydrogen bond donor(s) and 5 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 4-(2-Carboxyethyl)-4-nitroheptanedioic acid?
The CAS number of 4-(2-Carboxyethyl)-4-nitroheptanedioic acid is 59085-15-3.
What is the molecular formula of 4-(2-Carboxyethyl)-4-nitroheptanedioic acid?
The molecular formula of 4-(2-Carboxyethyl)-4-nitroheptanedioic acid is C10H15NO8.
What is the molecular weight of 4-(2-Carboxyethyl)-4-nitroheptanedioic acid?
The molecular weight of 4-(2-Carboxyethyl)-4-nitroheptanedioic acid is 277.08 g/mol.
Where can I buy 4-(2-Carboxyethyl)-4-nitroheptanedioic acid?
You can request a quote for 4-(2-Carboxyethyl)-4-nitroheptanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Carboxyethyl)-4-nitroheptanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Carboxyethyl)-4-nitroheptanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.