Phyllanthostatin A
TL;DR: Phyllanthostatin A (CAS 119767-19-0) is a chemical compound with molecular formula C29H30O13 and molecular weight 586.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-(acetyloxymethyl)-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxynaphthalene-2-carboxylate
Also Known As: Phyllanthostatin A, Phyllanthostatin A - Phyllanthus acuminatus, J2.394.762E, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-(acetyloxymethyl)-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxynaphthalene-2-carboxylate, beta-D-Glucopyranose, 1-(3-((acetyloxy)methyl)-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-naphthalenecarboxylate)
| Molecular Formula | C29H30O13 |
|---|---|
| Molecular Weight | 586.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 586.16864 |
| Heavy Atoms | 42 |
| Complexity | 933.0 |
Chemical Identifiers
| CAS Number | 119767-19-0 |
|---|---|
| SMILES | CC(=O)OCC1=C(C(=C2C=C(C(=CC2=C1)OC)OC)C3=CC4=C(C=C3)OCO4)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| InChIKey | KQSAUOPDQAYSSQ-GPXXLQEOSA-N |
Product Overview
Phyllanthostatin A (CAS 119767-19-0), with molecular formula C29H30O13 and molecular weight 586.17 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-(acetyloxymethyl)-1-(1,3-benzodioxol-5-yl)-6,7-dimethoxynaphthalene-2-carboxylate.
Chemical Property Profile of Phyllanthostatin A
Property Insights of Phyllanthostatin A
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phyllanthostatin A. The TPSA of 180.0 Ų indicates high polarity, suggesting Phyllanthostatin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phyllanthostatin A has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phyllanthostatin A?
The CAS number of Phyllanthostatin A is 119767-19-0.
What is the molecular formula of Phyllanthostatin A?
The molecular formula of Phyllanthostatin A is C29H30O13.
What is the molecular weight of Phyllanthostatin A?
The molecular weight of Phyllanthostatin A is 586.17 g/mol.
Where can I buy Phyllanthostatin A?
You can request a quote for Phyllanthostatin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phyllanthostatin A?
Yes, KEHONG BIO provides custom synthesis services for Phyllanthostatin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.