4-甲基-4-(甲基硝基氨基)-2-戊酮
TL;DR: 4-甲基-4-(甲基硝基氨基)-2-戊酮 (CAS 16339-21-2) is a chemical compound with molecular formula C7H14N2O2 and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基-4-(甲基硝基氨基)-2-戊酮
N-methyl-N-(2-methyl-4-oxopentan-2-yl)nitrous amide
Also Known As: 4-Methyl-4-(methylnitrosoamino)-2-pentanone, 2-Pentanone, 4-methyl-4-(N-nitrosomethylamino)-, N-methyl-N-(2-methyl-4-oxopentan-2-yl)nitrous amide, 2-Methylnitrosamino-2-methylpentanon(4), Methyl-1,1-dimethylbutanon(3)-nitrosamin
| Molecular Formula | C7H14N2O2 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.10553 |
| Heavy Atoms | 11 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 16339-21-2 |
|---|---|
| SMILES | CC(=O)CC(C)(C)N(C)N=O |
| InChIKey | BUFWFGAUZTUMMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基-4-(甲基硝基氨基)-2-戊酮 (CAS 16339-21-2), with molecular formula C7H14N2O2 and molecular weight 158.11 g/mol. IUPAC: N-methyl-N-(2-methyl-4-oxopentan-2-yl)nitrous amide.
Chemical Property Profile of 4-甲基-4-(甲基硝基氨基)-2-戊酮
Property Insights of 4-甲基-4-(甲基硝基氨基)-2-戊酮
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基-4-(甲基硝基氨基)-2-戊酮. With a topological polar surface area (TPSA) of 49.7 Ų, 4-甲基-4-(甲基硝基氨基)-2-戊酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基-4-(甲基硝基氨基)-2-戊酮 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 4-甲基-4-(甲基硝基氨基)-2-戊酮?
The CAS number of 4-甲基-4-(甲基硝基氨基)-2-戊酮 is 16339-21-2.
What is the molecular formula of 4-甲基-4-(甲基硝基氨基)-2-戊酮?
The molecular formula of 4-甲基-4-(甲基硝基氨基)-2-戊酮 is C7H14N2O2.
What is the molecular weight of 4-甲基-4-(甲基硝基氨基)-2-戊酮?
The molecular weight of 4-甲基-4-(甲基硝基氨基)-2-戊酮 is 158.11 g/mol.
Where can I buy 4-甲基-4-(甲基硝基氨基)-2-戊酮?
You can request a quote for 4-甲基-4-(甲基硝基氨基)-2-戊酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基-4-(甲基硝基氨基)-2-戊酮?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基-4-(甲基硝基氨基)-2-戊酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.