4,4-Dinitropentanoic acid
TL;DR: 4,4-Dinitropentanoic acid (CAS 5029-31-2) is a chemical compound with molecular formula C5H8N2O6 and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dinitropentanoic acid
Also Known As: 4,4-DINITROPENTANOIC ACID, 4,4-dinitrovaleric acid, 4,4-dinitro-valeric acid, 4,4-dinitro- Pentanoic acid, Pentanoicacid, 4,4-dinitro-
| Molecular Formula | C5H8N2O6 |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.03824 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 5029-31-2 |
|---|---|
| SMILES | CC(CCC(=O)O)([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CQWFWIBGCBOEIG-UHFFFAOYSA-N |
Product Overview
4,4-Dinitropentanoic acid (CAS 5029-31-2), with molecular formula C5H8N2O6 and molecular weight 192.04 g/mol. IUPAC: 4,4-dinitropentanoic acid.
Chemical Property Profile of 4,4-Dinitropentanoic acid
Property Insights of 4,4-Dinitropentanoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dinitropentanoic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dinitropentanoic acid. Following Lipinski's Rule of Five, 4,4-Dinitropentanoic acid has 1 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 4,4-Dinitropentanoic acid?
The CAS number of 4,4-Dinitropentanoic acid is 5029-31-2.
What is the molecular formula of 4,4-Dinitropentanoic acid?
The molecular formula of 4,4-Dinitropentanoic acid is C5H8N2O6.
What is the molecular weight of 4,4-Dinitropentanoic acid?
The molecular weight of 4,4-Dinitropentanoic acid is 192.04 g/mol.
Where can I buy 4,4-Dinitropentanoic acid?
You can request a quote for 4,4-Dinitropentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dinitropentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dinitropentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.