4-Methyl-4-nitroheptanedioic acid
TL;DR: 4-Methyl-4-nitroheptanedioic acid (CAS 6298-33-5) is a chemical compound with molecular formula C8H13NO6 and molecular weight 219.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-4-nitroheptanedioic acid
Also Known As: 4-methyl-4-nitroheptanedioic acid, 4-methyl-4-nitro-heptanedioic Acid, heptanedioic acid, 4-methyl-4-nitro-, Heptanedioic acid,4-methyl-4-nitro-, 4-methyl-4-nitroheptanedioicacid
| Molecular Formula | C8H13NO6 |
|---|---|
| Molecular Weight | 219.07 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 219.07428 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 6298-33-5 |
|---|---|
| SMILES | CC(CCC(=O)O)(CCC(=O)O)[N+](=O)[O-] |
| InChIKey | QSVSXKWXZSDWIU-UHFFFAOYSA-N |
Product Overview
4-Methyl-4-nitroheptanedioic acid (CAS 6298-33-5), with molecular formula C8H13NO6 and molecular weight 219.07 g/mol. IUPAC: 4-methyl-4-nitroheptanedioic acid.
Chemical Property Profile of 4-Methyl-4-nitroheptanedioic acid
Property Insights of 4-Methyl-4-nitroheptanedioic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-4-nitroheptanedioic acid. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-4-nitroheptanedioic acid. Following Lipinski's Rule of Five, 4-Methyl-4-nitroheptanedioic acid has 2 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 4-Methyl-4-nitroheptanedioic acid?
The CAS number of 4-Methyl-4-nitroheptanedioic acid is 6298-33-5.
What is the molecular formula of 4-Methyl-4-nitroheptanedioic acid?
The molecular formula of 4-Methyl-4-nitroheptanedioic acid is C8H13NO6.
What is the molecular weight of 4-Methyl-4-nitroheptanedioic acid?
The molecular weight of 4-Methyl-4-nitroheptanedioic acid is 219.07 g/mol.
Where can I buy 4-Methyl-4-nitroheptanedioic acid?
You can request a quote for 4-Methyl-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-Methyl-4-nitroheptanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-4-nitroheptanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.