5-Butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one
TL;DR: 5-Butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one (CAS 6312-80-7) is a chemical compound with molecular formula C11H21NO2 and molecular weight 199.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one
Also Known As: Cycloheptaneethanol,4-methyl, 5-butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one
| Molecular Formula | C11H21NO2 |
|---|---|
| Molecular Weight | 199.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.15723 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 6312-80-7 |
|---|---|
| SMILES | CCCCC1(CN(C(=O)OC1)C)CC |
| InChIKey | VONIYWDZTQIGRU-UHFFFAOYSA-N |
Product Overview
5-Butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one (CAS 6312-80-7), with molecular formula C11H21NO2 and molecular weight 199.16 g/mol. IUPAC: 5-butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one.
Chemical Property Profile of 5-Butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one
Property Insights of 5-Butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one. With a topological polar surface area (TPSA) of 29.5 Ų, 5-Butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one has 0 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 5-Butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one?
The CAS number of 5-Butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one is 6312-80-7.
What is the molecular formula of 5-Butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one?
The molecular formula of 5-Butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one is C11H21NO2.
What is the molecular weight of 5-Butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one?
The molecular weight of 5-Butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one is 199.16 g/mol.
Where can I buy 5-Butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one?
You can request a quote for 5-Butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Butyl-5-ethyl-3-methyl-1,3-oxazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.