Phylloflavan
TL;DR: Phylloflavan (CAS 98570-83-3) is a chemical compound with molecular formula C26H26O10 and molecular weight 498.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] (3S)-5-(3,4-dihydroxyphenyl)-3-hydroxypentanoate
Also Known As: PHYLLOFLAVAN, Benzenepentanoic acid, beta,3,4-trihydroxy-, (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (betaS)-, [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] (3S)-5-(3,4-dihydroxyphenyl)-3-hydroxypentanoate, (S)-(2R,3S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 5-(3,4-dihydroxyphenyl)-3-hydroxypentanoate, (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl (betaS)-beta,3,4-trihydroxybenzenepentanoate
| Molecular Formula | C26H26O10 |
|---|---|
| Molecular Weight | 498.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.1526 |
| Heavy Atoms | 36 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 98570-83-3 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C[C@H](CCC4=CC(=C(C=C4)O)O)O |
| InChIKey | FKDRTLFRRHQTGU-TYFWRAIDSA-N |
Product Overview
Phylloflavan (CAS 98570-83-3), with molecular formula C26H26O10 and molecular weight 498.15 g/mol. IUPAC: [(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] (3S)-5-(3,4-dihydroxyphenyl)-3-hydroxypentanoate.
Chemical Property Profile of Phylloflavan
Property Insights of Phylloflavan
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phylloflavan. The TPSA of 177.0 Ų indicates high polarity, suggesting Phylloflavan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phylloflavan has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phylloflavan?
The CAS number of Phylloflavan is 98570-83-3.
What is the molecular formula of Phylloflavan?
The molecular formula of Phylloflavan is C26H26O10.
What is the molecular weight of Phylloflavan?
The molecular weight of Phylloflavan is 498.15 g/mol.
Where can I buy Phylloflavan?
You can request a quote for Phylloflavan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phylloflavan?
Yes, KEHONG BIO provides custom synthesis services for Phylloflavan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.