4,4-Dinitropentanal
TL;DR: 4,4-Dinitropentanal (CAS 62987-05-7) is a chemical compound with molecular formula C5H8N2O5 and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dinitropentanal
Also Known As: 4,4-dinitropentanal, 4,4-dinitrovaleraldehyde, 4,4-dinitro-valeraldehyde, RefChem:285060
| Molecular Formula | C5H8N2O5 |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.04332 |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 62987-05-7 |
|---|---|
| SMILES | CC(CCC=O)([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DBUDYVMAPIJUTO-UHFFFAOYSA-N |
Product Overview
4,4-Dinitropentanal (CAS 62987-05-7), with molecular formula C5H8N2O5 and molecular weight 176.04 g/mol. IUPAC: 4,4-dinitropentanal.
Chemical Property Profile of 4,4-Dinitropentanal
Property Insights of 4,4-Dinitropentanal
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dinitropentanal. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dinitropentanal. Following Lipinski's Rule of Five, 4,4-Dinitropentanal has 0 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 4,4-Dinitropentanal?
The CAS number of 4,4-Dinitropentanal is 62987-05-7.
What is the molecular formula of 4,4-Dinitropentanal?
The molecular formula of 4,4-Dinitropentanal is C5H8N2O5.
What is the molecular weight of 4,4-Dinitropentanal?
The molecular weight of 4,4-Dinitropentanal is 176.04 g/mol.
Where can I buy 4,4-Dinitropentanal?
You can request a quote for 4,4-Dinitropentanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dinitropentanal?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dinitropentanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.