Amaropanin
TL;DR: Amaropanin (CAS 52811-25-3) is a chemical compound with molecular formula C29H30O12 and molecular weight 570.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5S,6S)-2-[(4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-hydroxy-6-(3-hydroxyphenyl)benzoate
Also Known As: Amaropanin, (1,1'-Biphenyl)-2-carboxylic acid, 3,3'-dihydroxy-, 2'-ester with 5-ethenyl-7-(beta-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-1H,3H-pyrano(3,4-c)pyran-1-one, (4aS-(4aalpha,5beta,6alpha))-, [(2R,3S,4S,5S,6S)-2-[(4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-hydroxy-6-(3-hydroxyphenyl)benzoate, 5-Ethenyl-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2-O-(3,3'-dihydroxy[1,1'-biphenyl]-2-carbonyl)-beta-L-gulopyranoside, 5-Ethenyl-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2-O-(3,3'-dihydroxy[1,1'-biphenyl]-2-carbonyl)hexopyranoside
| Molecular Formula | C29H30O12 |
|---|---|
| Molecular Weight | 570.17 g/mol |
| LogP | 1.3513 |
| Topological Polar Surface Area | 181.44 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 570.1737 |
| Heavy Atoms | 41 |
| Complexity | 1338.827 |
Chemical Identifiers
| CAS Number | 52811-25-3 |
|---|---|
| SMILES | C=CC1C2CCOC(=O)C2=COC1O[C@@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)OC(=O)C4=C(C=CC=C4O)C5=CC(=CC=C5)O |
Product Overview
Amaropanin (CAS 52811-25-3), with molecular formula C29H30O12 and molecular weight 570.17 g/mol. IUPAC: [(2R,3S,4S,5S,6S)-2-[(4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-hydroxy-6-(3-hydroxyphenyl)benzoate.
Chemical Property Profile of Amaropanin
Property Insights of Amaropanin
The XLogP value of 1.3513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amaropanin. The TPSA of 181.44 Ų indicates high polarity, suggesting Amaropanin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amaropanin has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amaropanin?
The CAS number of Amaropanin is 52811-25-3.
What is the molecular formula of Amaropanin?
The molecular formula of Amaropanin is C29H30O12.
What is the molecular weight of Amaropanin?
The molecular weight of Amaropanin is 570.17 g/mol.
Where can I buy Amaropanin?
You can request a quote for Amaropanin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amaropanin?
Yes, KEHONG BIO provides custom synthesis services for Amaropanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.