(S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate
TL;DR: (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate (CAS 111441-88-4) is a chemical compound with molecular formula C19H16O6 and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-5-acetyloxy-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] acetate
Also Known As: Pinocembrin diacetate, Picembrin diacetate, Pinocembrindiacetate, Pinocembrin, diacetate, (S)-5,7-Diacetoxyflavanone
| Molecular Formula | C19H16O6 |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 3.2437 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.0947 |
| Heavy Atoms | 25 |
| Complexity | 840.49286 |
Chemical Identifiers
| CAS Number | 111441-88-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C(=O)C[C@H](O2)C3=CC=CC=C3)C(=C1)OC(=O)C |
Product Overview
(S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate (CAS 111441-88-4), with molecular formula C19H16O6 and molecular weight 340.09 g/mol. IUPAC: [(2S)-5-acetyloxy-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] acetate.
Chemical Property Profile of (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate
Property Insights of (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate
The XLogP value of 3.2437 indicates that (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate. Following Lipinski's Rule of Five, (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate has 0 hydrogen bond donor(s) and 6 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 (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate?
The CAS number of (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate is 111441-88-4.
What is the molecular formula of (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate?
The molecular formula of (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate is C19H16O6.
What is the molecular weight of (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate?
The molecular weight of (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate is 340.09 g/mol.
Where can I buy (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate?
You can request a quote for (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-Oxo-2-phenylchroman-5,7-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.