cis-Flavan-4-ol acetate
TL;DR: cis-Flavan-4-ol acetate (CAS 20981-69-5) is a chemical compound with molecular formula C17H16O3 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-yl] acetate
Also Known As: cis-Flavan-4-olacetate, cis-Flavan-4-ol acetate, (2R,4R)-4-Acetoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran, [(2R,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-yl] acetate, 2beta-Phenyl-3,4-dihydro-2H-1-benzopyran-4beta-ol acetate
| Molecular Formula | C17H16O3 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 3.8146 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.10995 |
| Heavy Atoms | 20 |
| Complexity | 606.642 |
Chemical Identifiers
| CAS Number | 20981-69-5 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@H](OC2=CC=CC=C12)C3=CC=CC=C3 |
Product Overview
cis-Flavan-4-ol acetate (CAS 20981-69-5), with molecular formula C17H16O3 and molecular weight 268.11 g/mol. IUPAC: [(2R,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-yl] acetate.
Chemical Property Profile of cis-Flavan-4-ol acetate
Property Insights of cis-Flavan-4-ol acetate
The XLogP value of 3.8146 indicates that cis-Flavan-4-ol acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, cis-Flavan-4-ol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-Flavan-4-ol 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 cis-Flavan-4-ol acetate?
The CAS number of cis-Flavan-4-ol acetate is 20981-69-5.
What is the molecular formula of cis-Flavan-4-ol acetate?
The molecular formula of cis-Flavan-4-ol acetate is C17H16O3.
What is the molecular weight of cis-Flavan-4-ol acetate?
The molecular weight of cis-Flavan-4-ol acetate is 268.11 g/mol.
Where can I buy cis-Flavan-4-ol acetate?
You can request a quote for cis-Flavan-4-ol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-Flavan-4-ol acetate?
Yes, KEHONG BIO provides custom synthesis services for cis-Flavan-4-ol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.