2,4-Dimethyl-4-nitropentanal
TL;DR: 2,4-Dimethyl-4-nitropentanal (CAS 139591-40-5) is a chemical compound with molecular formula C7H13NO3 and molecular weight 159.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-4-nitropentanal
Also Known As: 2,4-dimethyl-4-nitropentanal
| Molecular Formula | C7H13NO3 |
|---|---|
| Molecular Weight | 159.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.08954 |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 139591-40-5 |
|---|---|
| SMILES | CC(CC(C)(C)[N+](=O)[O-])C=O |
| InChIKey | AUVKCLMOOFYZRJ-UHFFFAOYSA-N |
Product Overview
2,4-Dimethyl-4-nitropentanal (CAS 139591-40-5), with molecular formula C7H13NO3 and molecular weight 159.09 g/mol. IUPAC: 2,4-dimethyl-4-nitropentanal.
Chemical Property Profile of 2,4-Dimethyl-4-nitropentanal
Property Insights of 2,4-Dimethyl-4-nitropentanal
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethyl-4-nitropentanal. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dimethyl-4-nitropentanal. Following Lipinski's Rule of Five, 2,4-Dimethyl-4-nitropentanal has 0 hydrogen bond donor(s) and 3 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 2,4-Dimethyl-4-nitropentanal?
The CAS number of 2,4-Dimethyl-4-nitropentanal is 139591-40-5.
What is the molecular formula of 2,4-Dimethyl-4-nitropentanal?
The molecular formula of 2,4-Dimethyl-4-nitropentanal is C7H13NO3.
What is the molecular weight of 2,4-Dimethyl-4-nitropentanal?
The molecular weight of 2,4-Dimethyl-4-nitropentanal is 159.09 g/mol.
Where can I buy 2,4-Dimethyl-4-nitropentanal?
You can request a quote for 2,4-Dimethyl-4-nitropentanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethyl-4-nitropentanal?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl-4-nitropentanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.