Breviscapine
TL;DR: Breviscapine (CAS 27740-01-8) is a chemical compound with molecular formula C21H18O12 and molecular weight 462.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Breviscapine, Scutellarin, dengzhanhua, new-breviscapine, scutellarin [M+H]+
| Molecular Formula | C21H18O12 |
|---|---|
| Molecular Weight | 462.08 g/mol |
| LogP | -0.1522 |
| Topological Polar Surface Area | 207.35 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.07983 |
| Heavy Atoms | 33 |
| Complexity | 1264.9606 |
Chemical Identifiers
| CAS Number | 27740-01-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O |
Product Overview
Breviscapine (CAS 27740-01-8), with molecular formula C21H18O12 and molecular weight 462.08 g/mol. IUPAC: 6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Breviscapine
Property Insights of Breviscapine
The XLogP value of -0.1522 indicates that Breviscapine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.35 Ų indicates high polarity, suggesting Breviscapine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Breviscapine has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Breviscapine?
The CAS number of Breviscapine is 27740-01-8.
What is the molecular formula of Breviscapine?
The molecular formula of Breviscapine is C21H18O12.
What is the molecular weight of Breviscapine?
The molecular weight of Breviscapine is 462.08 g/mol.
Where can I buy Breviscapine?
You can request a quote for Breviscapine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Breviscapine?
Yes, KEHONG BIO provides custom synthesis services for Breviscapine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.