Hernanol
TL;DR: Hernanol (CAS 651340-40-8) is a chemical compound with molecular formula C22H26O7 and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Also Known As: Hernanol, O4,O5--dimethylthujaplicatin, J1.934.055D, (3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one, (3R,4R)-4-(4-hydroxy-3-methoxybenzyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one
| Molecular Formula | C22H26O7 |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.16785 |
| Heavy Atoms | 29 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 651340-40-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C[C@@H]2[C@H](COC2=O)CC3=CC(=C(C=C3)O)OC |
| InChIKey | NQDCTUUMEFECTD-JKSUJKDBSA-N |
Product Overview
Hernanol (CAS 651340-40-8), with molecular formula C22H26O7 and molecular weight 402.17 g/mol. IUPAC: (3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one.
Chemical Property Profile of Hernanol
Property Insights of Hernanol
The XLogP value of 3.6 indicates that Hernanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Hernanol. Following Lipinski's Rule of Five, Hernanol has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hernanol?
The CAS number of Hernanol is 651340-40-8.
What is the molecular formula of Hernanol?
The molecular formula of Hernanol is C22H26O7.
What is the molecular weight of Hernanol?
The molecular weight of Hernanol is 402.17 g/mol.
Where can I buy Hernanol?
You can request a quote for Hernanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hernanol?
Yes, KEHONG BIO provides custom synthesis services for Hernanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.