Acetonin
TL;DR: Acetonin (CAS 556-72-9) is a chemical compound with molecular formula C9H18N2 and molecular weight 154.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4,6,6-pentamethyl-1,5-dihydropyrimidine
Also Known As: Acetonin, Acetonine, Pyrimidine, 1,2,5,6-tetrahydro-2,2,4,6,6-pentamethyl-, 2,2,4,6,6-pentamethyl-1,5-dihydropyrimidine, 2,2,4,6,6-Pentamethyltetrahydro pyrimidine
| Molecular Formula | C9H18N2 |
|---|---|
| Molecular Weight | 154.15 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.147 |
| Heavy Atoms | 11 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 556-72-9 |
|---|---|
| SMILES | CC1=NC(NC(C1)(C)C)(C)C |
| InChIKey | PIFBMJMXJMZZRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetonin (CAS 556-72-9), with molecular formula C9H18N2 and molecular weight 154.15 g/mol. IUPAC: 2,2,4,6,6-pentamethyl-1,5-dihydropyrimidine.
Chemical Property Profile of Acetonin
Property Insights of Acetonin
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonin. With a topological polar surface area (TPSA) of 24.4 Ų, Acetonin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonin has 1 hydrogen bond donor(s) and 2 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 Acetonin?
The CAS number of Acetonin is 556-72-9.
What is the molecular formula of Acetonin?
The molecular formula of Acetonin is C9H18N2.
What is the molecular weight of Acetonin?
The molecular weight of Acetonin is 154.15 g/mol.
Where can I buy Acetonin?
You can request a quote for Acetonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonin?
Yes, KEHONG BIO provides custom synthesis services for Acetonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.