Trichocarpin
TL;DR: Trichocarpin (CAS 10590-85-9) is a chemical compound with molecular formula C20H22O9 and molecular weight 406.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
Also Known As: Trichocarpin, trichocarpine, Benzyl 2-(beta-D-glucopyranosyloxy)-5-hydroxybenzoate, benzyl 5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate, 2-(beta-D-Glucopyranosyloxy)-5-hydroxybenzoic acid benzyl ester
| Molecular Formula | C20H22O9 |
|---|---|
| Molecular Weight | 406.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.12637 |
| Heavy Atoms | 29 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 10590-85-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | QJWRHLSORLOREK-BFMVXSJESA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trichocarpin (CAS 10590-85-9), with molecular formula C20H22O9 and molecular weight 406.13 g/mol. IUPAC: benzyl 5-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate.
Chemical Property Profile of Trichocarpin
Property Insights of Trichocarpin
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichocarpin. The TPSA of 146.0 Ų indicates high polarity, suggesting Trichocarpin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trichocarpin has 5 hydrogen bond donor(s) and 9 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 Trichocarpin?
The CAS number of Trichocarpin is 10590-85-9.
What is the molecular formula of Trichocarpin?
The molecular formula of Trichocarpin is C20H22O9.
What is the molecular weight of Trichocarpin?
The molecular weight of Trichocarpin is 406.13 g/mol.
Where can I buy Trichocarpin?
You can request a quote for Trichocarpin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichocarpin?
Yes, KEHONG BIO provides custom synthesis services for Trichocarpin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.