Flexibilide
TL;DR: Flexibilide (CAS 65669-72-9) is a chemical compound with molecular formula C20H30O4 and molecular weight 334.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S,6S,9E,13S,14R)-13-hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one
Also Known As: Flexibilide, Sinularin, hydroxy-trimethyl-methylene-[?]one, SID:350085936, (1R,4S,6S,9E,13S,14R)-13-Hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 3.6833 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 334.21442 |
| Heavy Atoms | 24 |
| Complexity | 561.98615 |
Chemical Identifiers
| CAS Number | 65669-72-9 |
|---|---|
| SMILES | C/C/1=C\CC[C@]([C@H]2C[C@@H](CC[C@]3([C@@H](O3)CC1)C)C(=C)C(=O)O2)(C)O |
Product Overview
Flexibilide (CAS 65669-72-9), with molecular formula C20H30O4 and molecular weight 334.21 g/mol. IUPAC: (1R,4S,6S,9E,13S,14R)-13-hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one.
Chemical Property Profile of Flexibilide
Property Insights of Flexibilide
The XLogP value of 3.6833 indicates that Flexibilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.06 Ų, Flexibilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Flexibilide has 1 hydrogen bond donor(s) and 4 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 Flexibilide?
The CAS number of Flexibilide is 65669-72-9.
What is the molecular formula of Flexibilide?
The molecular formula of Flexibilide is C20H30O4.
What is the molecular weight of Flexibilide?
The molecular weight of Flexibilide is 334.21 g/mol.
Where can I buy Flexibilide?
You can request a quote for Flexibilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flexibilide?
Yes, KEHONG BIO provides custom synthesis services for Flexibilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.