Brasilenyne
TL;DR: Brasilenyne (CAS 71778-84-2) is a chemical compound with molecular formula C15H19ClO and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z,7E)-3-chloro-9-ethyl-2-[(E)-pent-2-en-4-ynyl]-2,3,4,9-tetrahydrooxonine
Also Known As: BRASILENYNE, (5Z,7E)-3-chloro-9-ethyl-2-[(E)-pent-2-en-4-ynyl]-2,3,4,9-tetrahydrooxonine, (2S,3S,5Z,7Z,9S)-3-chloro-9-ethyl-2-((Z)-pent-2-en-4-ynyl)-2,3,4,9-tetrahydrooxonine, RefChem:121255
| Molecular Formula | C15H19ClO |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 3.8532 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.11244 |
| Heavy Atoms | 17 |
| Complexity | 335.3212 |
Chemical Identifiers
| CAS Number | 71778-84-2 |
|---|---|
| SMILES | CCC1/C=C/C=C\CC(C(O1)C/C=C/C#C)Cl |
Product Overview
Brasilenyne (CAS 71778-84-2), with molecular formula C15H19ClO and molecular weight 250.11 g/mol. IUPAC: (5Z,7E)-3-chloro-9-ethyl-2-[(E)-pent-2-en-4-ynyl]-2,3,4,9-tetrahydrooxonine.
Chemical Property Profile of Brasilenyne
Property Insights of Brasilenyne
The XLogP value of 3.8532 indicates that Brasilenyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, Brasilenyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Brasilenyne has 0 hydrogen bond donor(s) and 1 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 Brasilenyne?
The CAS number of Brasilenyne is 71778-84-2.
What is the molecular formula of Brasilenyne?
The molecular formula of Brasilenyne is C15H19ClO.
What is the molecular weight of Brasilenyne?
The molecular weight of Brasilenyne is 250.11 g/mol.
Where can I buy Brasilenyne?
You can request a quote for Brasilenyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brasilenyne?
Yes, KEHONG BIO provides custom synthesis services for Brasilenyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.