四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮
TL;DR: 四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮 (CAS 17496-94-5) 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.
四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮
4-methoxy-5,5-dimethyl-1,3-diazinan-2-one
Also Known As: 4-methoxy-5,5-dimethyl-1,3-diazinan-2-one, Tetrahydro-4-methoxy-5,5-dimethyl-1H-pyrimidin-2-one, 4-methoxy-5,5-dimethyltetrahydropyrimidin-2(1h)-one, 4-methoxy-5,5-dimethyl-tetrahydro-pyrimidin-2-one, 2(1H)-Pyrimidinone,tetrahydro-4-methoxy-5,5-dimethyl-
| Molecular Formula | C7H14N2O2 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.10553 |
| Heavy Atoms | 11 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 17496-94-5 |
|---|---|
| SMILES | CC1(CNC(=O)NC1OC)C |
| InChIKey | JCAFJPDEUMZITK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮 (CAS 17496-94-5), with molecular formula C7H14N2O2 and molecular weight 158.11 g/mol. IUPAC: 4-methoxy-5,5-dimethyl-1,3-diazinan-2-one.
Chemical Property Profile of 四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮
Property Insights of 四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮. With a topological polar surface area (TPSA) of 50.4 Ų, 四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮 has 2 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 四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮?
The CAS number of 四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮 is 17496-94-5.
What is the molecular formula of 四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮?
The molecular formula of 四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮 is C7H14N2O2.
What is the molecular weight of 四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮?
The molecular weight of 四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮 is 158.11 g/mol.
Where can I buy 四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮?
You can request a quote for 四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮?
Yes, KEHONG BIO provides custom synthesis services for 四氢-4-甲氧基-5,5-二甲基-1H-嘧啶-2-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.