3,5-Heptanedione, 4-methyl-1-nitro-
TL;DR: 3,5-Heptanedione, 4-methyl-1-nitro- (CAS 62250-63-9) is a chemical compound with molecular formula C8H13NO4 and molecular weight 187.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-1-nitroheptane-3,5-dione
Also Known As: 4-methyl-1-nitroheptane-3,5-dione, 3,5-Heptanedione, 4-methyl-1-nitro-, 4-Methyl-1-nitro-3,5-heptanedione, 4-Methyl-1-nitro-3,5-heptanedione #, RefChem:272029
| Molecular Formula | C8H13NO4 |
|---|---|
| Molecular Weight | 187.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 187.08446 |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 62250-63-9 |
|---|---|
| SMILES | CCC(=O)C(C)C(=O)CC[N+](=O)[O-] |
| InChIKey | HVXSMBVGUWLSCW-UHFFFAOYSA-N |
Product Overview
3,5-Heptanedione, 4-methyl-1-nitro- (CAS 62250-63-9), with molecular formula C8H13NO4 and molecular weight 187.08 g/mol. IUPAC: 4-methyl-1-nitroheptane-3,5-dione.
Chemical Property Profile of 3,5-Heptanedione, 4-methyl-1-nitro-
Property Insights of 3,5-Heptanedione, 4-methyl-1-nitro-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Heptanedione, 4-methyl-1-nitro-. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Heptanedione, 4-methyl-1-nitro-. Following Lipinski's Rule of Five, 3,5-Heptanedione, 4-methyl-1-nitro- has 0 hydrogen bond donor(s) and 4 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 3,5-Heptanedione, 4-methyl-1-nitro-?
The CAS number of 3,5-Heptanedione, 4-methyl-1-nitro- is 62250-63-9.
What is the molecular formula of 3,5-Heptanedione, 4-methyl-1-nitro-?
The molecular formula of 3,5-Heptanedione, 4-methyl-1-nitro- is C8H13NO4.
What is the molecular weight of 3,5-Heptanedione, 4-methyl-1-nitro-?
The molecular weight of 3,5-Heptanedione, 4-methyl-1-nitro- is 187.08 g/mol.
Where can I buy 3,5-Heptanedione, 4-methyl-1-nitro-?
You can request a quote for 3,5-Heptanedione, 4-methyl-1-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Heptanedione, 4-methyl-1-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Heptanedione, 4-methyl-1-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.