栀子素 b
TL;DR: 栀子素 b (CAS 2798-20-1) is a chemical compound with molecular formula C19H18O7 and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
栀子素 b
5-hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
Also Known As: Gardenin B, Demethyltangeretin, 5-demethyltangeretin, 5-o-desmethyltangeretin, GardeninB
| Molecular Formula | C19H18O7 |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.10526 |
| Heavy Atoms | 26 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 2798-20-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O |
| InChIKey | LXEVSYZNYDZSOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
栀子素 b (CAS 2798-20-1), with molecular formula C19H18O7 and molecular weight 358.11 g/mol. IUPAC: 5-hydroxy-6,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one.
Chemical Property Profile of 栀子素 b
Property Insights of 栀子素 b
The XLogP value of 3.3 indicates that 栀子素 b 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 栀子素 b. Following Lipinski's Rule of Five, 栀子素 b 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 栀子素 b?
The CAS number of 栀子素 b is 2798-20-1.
What is the molecular formula of 栀子素 b?
The molecular formula of 栀子素 b is C19H18O7.
What is the molecular weight of 栀子素 b?
The molecular weight of 栀子素 b is 358.11 g/mol.
Where can I buy 栀子素 b?
You can request a quote for 栀子素 b directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 栀子素 b?
Yes, KEHONG BIO provides custom synthesis services for 栀子素 b and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.