1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate
TL;DR: 1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate (CAS 3442-58-8) is a chemical compound with molecular formula C17H23BrO3 and molecular weight 354.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate
Also Known As: Laurencin, 1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate, 1-(7-bromo-8-ethyl-3,6,7,8-tetrahydro-2H-oxocin-2-yl)hex-3-en-5-yn-1-yl acetate
| Molecular Formula | C17H23BrO3 |
|---|---|
| Molecular Weight | 354.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.08307 |
| Heavy Atoms | 21 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 3442-58-8 |
|---|---|
| SMILES | CCC1C(CC=CCC(O1)C(CC=CC#C)OC(=O)C)Br |
| InChIKey | ZFYWONYUPVGTQJ-UHFFFAOYSA-N |
Product Overview
1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate (CAS 3442-58-8), with molecular formula C17H23BrO3 and molecular weight 354.08 g/mol. IUPAC: 1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate.
Chemical Property Profile of 1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate
Property Insights of 1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate
The XLogP value of 4.3 indicates that 1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl 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 1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate?
The CAS number of 1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate is 3442-58-8.
What is the molecular formula of 1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate?
The molecular formula of 1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate is C17H23BrO3.
What is the molecular weight of 1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate?
The molecular weight of 1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate is 354.08 g/mol.
Where can I buy 1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate?
You can request a quote for 1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-bromo-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl)hex-3-en-5-ynyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.