4-Ethyl-2-heptyl-2-oxazoline-4-methanol
TL;DR: 4-Ethyl-2-heptyl-2-oxazoline-4-methanol (CAS 57101-63-0) is a chemical compound with molecular formula C13H25NO2 and molecular weight 227.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethyl-2-heptyl-5H-1,3-oxazol-4-yl)methanol
Also Known As: 4-Ethyl-2-heptyl-2-oxazoline-4-methanol, (4-ethyl-2-heptyl-5H-1,3-oxazol-4-yl)methanol, 4-oxazolemethanol, 4-ethyl-2-heptyl-4,5-dihydro-, (4-Ethyl-2-heptyl-4,5-dihydrooxazol-4-yl)methanol, 4-Ethyl-2-heptyl-4,5-dihydro-4-oxazolemethanol
| Molecular Formula | C13H25NO2 |
|---|---|
| Molecular Weight | 227.19 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 227.18852 |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 57101-63-0 |
|---|---|
| SMILES | CCCCCCCC1=NC(CO1)(CC)CO |
| InChIKey | GGTHMQKJWFHHRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethyl-2-heptyl-2-oxazoline-4-methanol (CAS 57101-63-0), with molecular formula C13H25NO2 and molecular weight 227.19 g/mol. IUPAC: (4-ethyl-2-heptyl-5H-1,3-oxazol-4-yl)methanol.
Chemical Property Profile of 4-Ethyl-2-heptyl-2-oxazoline-4-methanol
Property Insights of 4-Ethyl-2-heptyl-2-oxazoline-4-methanol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-2-heptyl-2-oxazoline-4-methanol. With a topological polar surface area (TPSA) of 41.8 Ų, 4-Ethyl-2-heptyl-2-oxazoline-4-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-2-heptyl-2-oxazoline-4-methanol has 1 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 4-Ethyl-2-heptyl-2-oxazoline-4-methanol?
The CAS number of 4-Ethyl-2-heptyl-2-oxazoline-4-methanol is 57101-63-0.
What is the molecular formula of 4-Ethyl-2-heptyl-2-oxazoline-4-methanol?
The molecular formula of 4-Ethyl-2-heptyl-2-oxazoline-4-methanol is C13H25NO2.
What is the molecular weight of 4-Ethyl-2-heptyl-2-oxazoline-4-methanol?
The molecular weight of 4-Ethyl-2-heptyl-2-oxazoline-4-methanol is 227.19 g/mol.
Where can I buy 4-Ethyl-2-heptyl-2-oxazoline-4-methanol?
You can request a quote for 4-Ethyl-2-heptyl-2-oxazoline-4-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-2-heptyl-2-oxazoline-4-methanol?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-2-heptyl-2-oxazoline-4-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.