5-Methyl-3-butyltetrahydropyran-4-yl acetate
TL;DR: 5-Methyl-3-butyltetrahydropyran-4-yl acetate (CAS 47733-27-7) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-butyl-5-methyloxan-4-yl) acetate
Also Known As: Jasmin pyranol, TEPYL ACETATE, TEPYLACETATE, 5-Methyl-3-butyltetrahydropyran-4-yl acetate, (3-butyl-5-methyloxan-4-yl) acetate
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 47733-27-7 |
|---|---|
| SMILES | CCCCC1COCC(C1OC(=O)C)C |
| InChIKey | XWNKVSFNBVIKJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-3-butyltetrahydropyran-4-yl acetate (CAS 47733-27-7), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: (3-butyl-5-methyloxan-4-yl) acetate.
Chemical Property Profile of 5-Methyl-3-butyltetrahydropyran-4-yl acetate
Property Insights of 5-Methyl-3-butyltetrahydropyran-4-yl acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3-butyltetrahydropyran-4-yl acetate. With a topological polar surface area (TPSA) of 35.5 Ų, 5-Methyl-3-butyltetrahydropyran-4-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-3-butyltetrahydropyran-4-yl acetate has 0 hydrogen bond donor(s) and 3 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-Methyl-3-butyltetrahydropyran-4-yl acetate?
The CAS number of 5-Methyl-3-butyltetrahydropyran-4-yl acetate is 47733-27-7.
What is the molecular formula of 5-Methyl-3-butyltetrahydropyran-4-yl acetate?
The molecular formula of 5-Methyl-3-butyltetrahydropyran-4-yl acetate is C12H22O3.
What is the molecular weight of 5-Methyl-3-butyltetrahydropyran-4-yl acetate?
The molecular weight of 5-Methyl-3-butyltetrahydropyran-4-yl acetate is 214.16 g/mol.
Where can I buy 5-Methyl-3-butyltetrahydropyran-4-yl acetate?
You can request a quote for 5-Methyl-3-butyltetrahydropyran-4-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-3-butyltetrahydropyran-4-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-butyltetrahydropyran-4-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.