(2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate
TL;DR: (2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate (CAS 87440-62-8) is a chemical compound with molecular formula C24H24O6 and molecular weight 408.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S)-5-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] acetate
Also Known As: (S)-8-(3-methylbut-2-en-1-yl)-4-oxo-2-phenylchroman-5,7-diyl diacetate, (2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate, [(2S)-5-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] acetate, (2S)-8-(3-methylbut-2-en-1-yl)-4-oxo-2-phenyl-3,4-dihydro-2H-chromene-5,7-diyl diacetate
| Molecular Formula | C24H24O6 |
|---|---|
| Molecular Weight | 408.16 g/mol |
| LogP | 4.7524 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.1573 |
| Heavy Atoms | 30 |
| Complexity | 1015.7368 |
Chemical Identifiers
| CAS Number | 87440-62-8 |
|---|---|
| SMILES | CC(=CCC1=C2C(=C(C=C1OC(=O)C)OC(=O)C)C(=O)C[C@H](O2)C3=CC=CC=C3)C |
Product Overview
(2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate (CAS 87440-62-8), with molecular formula C24H24O6 and molecular weight 408.16 g/mol. IUPAC: [(2S)-5-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl] acetate.
Chemical Property Profile of (2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate
Property Insights of (2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate
The XLogP value of 4.7524 indicates that (2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate 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 (2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate. Following Lipinski's Rule of Five, (2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate 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 (2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate?
The CAS number of (2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate is 87440-62-8.
What is the molecular formula of (2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate?
The molecular formula of (2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate is C24H24O6.
What is the molecular weight of (2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate?
The molecular weight of (2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate is 408.16 g/mol.
Where can I buy (2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate?
You can request a quote for (2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (2S)-7-acetyloxy-8-(3-methylbut-2-enyl)-4-oxo-2-phenylchroman-5-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.