pimentol
TL;DR: pimentol (CAS 141913-95-3) is a chemical compound with molecular formula C23H26O12 and molecular weight 494.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-3-methoxy-5-prop-2-enylphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Also Known As: pimentol, Ericifolin, [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-3-methoxy-5-prop-2-enylphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate, beta-D-Glucopyranoside, 2-hydroxy-3-methoxy-5-(2-propenyl)phenyl, 6-(3,4,5-trihydroxybenzoate), 1-O-[5-(2-Propenyl)-2-hydroxy-3-methoxyphenyl]-6-O-(galloyl)-beta-D-glucopyranose
| Molecular Formula | C23H26O12 |
|---|---|
| Molecular Weight | 494.14 g/mol |
| LogP | 0.2895 |
| Topological Polar Surface Area | 195.6 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.14243 |
| Heavy Atoms | 35 |
| Complexity | 1061.4069 |
Chemical Identifiers
| CAS Number | 141913-95-3 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)CC=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O |
Product Overview
pimentol (CAS 141913-95-3), with molecular formula C23H26O12 and molecular weight 494.14 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-3-methoxy-5-prop-2-enylphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of pimentol
Property Insights of pimentol
The XLogP value of 0.2895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for pimentol. The TPSA of 195.6 Ų indicates high polarity, suggesting pimentol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, pimentol has 7 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 pimentol?
The CAS number of pimentol is 141913-95-3.
What is the molecular formula of pimentol?
The molecular formula of pimentol is C23H26O12.
What is the molecular weight of pimentol?
The molecular weight of pimentol is 494.14 g/mol.
Where can I buy pimentol?
You can request a quote for pimentol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pimentol?
Yes, KEHONG BIO provides custom synthesis services for pimentol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.