Chestanin
TL;DR: Chestanin (CAS 68325-50-8) is a chemical compound with molecular formula C40H42O26 and molecular weight 938.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[5-[[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
Also Known As: CHESTANIN, Chestanin A, [3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[5-[[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate, [3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]methyl 2-[5-[[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]methoxycarbonyl]-2,3-dihydroxy-phenoxy]-3,4,5-trihydroxy-benzoate, [4-(Hexopyranosyloxy)-3,5-dihydroxyphenyl]methyl 2-[5-({[4-(hexopyranosyloxy)-3,5-dihydroxyphenyl]methoxy}carbonyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
| Molecular Formula | C40H42O26 |
|---|---|
| Molecular Weight | 938.20 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 443.0 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 16 |
| Exact Mass | 938.1964 |
| Heavy Atoms | 66 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 68325-50-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)OC2C(C(C(C(O2)CO)O)O)O)O)COC(=O)C3=CC(=C(C(=C3)OC4=C(C(=C(C=C4C(=O)OCC5=CC(=C(C(=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O)O |
| InChIKey | NSFIWSANZNJXLP-UHFFFAOYSA-N |
Product Overview
Chestanin (CAS 68325-50-8), with molecular formula C40H42O26 and molecular weight 938.20 g/mol. IUPAC: [3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[5-[[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate.
Chemical Property Profile of Chestanin
Property Insights of Chestanin
The XLogP value of -1.4 indicates that Chestanin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 443.0 Ų indicates high polarity, suggesting Chestanin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chestanin has 17 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chestanin?
The CAS number of Chestanin is 68325-50-8.
What is the molecular formula of Chestanin?
The molecular formula of Chestanin is C40H42O26.
What is the molecular weight of Chestanin?
The molecular weight of Chestanin is 938.20 g/mol.
Where can I buy Chestanin?
You can request a quote for Chestanin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chestanin?
Yes, KEHONG BIO provides custom synthesis services for Chestanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.