Berchemolide
TL;DR: Berchemolide (CAS 142569-83-3) is a chemical compound with molecular formula C28H34O16 and molecular weight 626.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxymethyl]oxan-2-yl]oxybenzoic acid
Also Known As: Berchemolide, 3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxymethyl]oxan-2-yl]oxybenzoic acid, 3-methoxy-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((3-methyl-4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxybenzoyl)oxymethyl)oxan-2-yl)oxybenzoic acid, 4-({6-O-[4-(beta-D-Glucopyranosyloxy)-3-methylbenzoyl]-beta-D-glucopyranosyl}oxy)-3-methoxybenzoic acid, Benzoic acid, 4-((6-O-(4-(beta-D-glucopyranosyloxy)-3-methoxybenzoyl)-beta-D-glucopyranosyl)oxy)-3-methoxy-, intramol. 1,6''-ester
| Molecular Formula | C28H34O16 |
|---|---|
| Molecular Weight | 626.18 g/mol |
| LogP | -2.07608 |
| Topological Polar Surface Area | 251.36 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 626.1847 |
| Heavy Atoms | 44 |
| Complexity | 1316.5477 |
Chemical Identifiers
| CAS Number | 142569-83-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C=C(C=C3)C(=O)O)OC)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
Product Overview
Berchemolide (CAS 142569-83-3), with molecular formula C28H34O16 and molecular weight 626.18 g/mol. IUPAC: 3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxymethyl]oxan-2-yl]oxybenzoic acid.
Chemical Property Profile of Berchemolide
Property Insights of Berchemolide
The XLogP value of -2.07608 indicates that Berchemolide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 251.36 Ų indicates high polarity, suggesting Berchemolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Berchemolide has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Berchemolide?
The CAS number of Berchemolide is 142569-83-3.
What is the molecular formula of Berchemolide?
The molecular formula of Berchemolide is C28H34O16.
What is the molecular weight of Berchemolide?
The molecular weight of Berchemolide is 626.18 g/mol.
Where can I buy Berchemolide?
You can request a quote for Berchemolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Berchemolide?
Yes, KEHONG BIO provides custom synthesis services for Berchemolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.