葛根素
TL;DR: 葛根素 (CAS 3681-99-0) is a chemical compound with molecular formula C21H20O10 and molecular weight 432.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
葛根素
7-hydroxy-3-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Puerarin, 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
| Molecular Formula | C21H20O10 |
|---|---|
| Molecular Weight | 432.11 g/mol |
| LogP | 0.0499 |
| Topological Polar Surface Area | 170.05 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.10565 |
| Heavy Atoms | 31 |
| Complexity | 1137.3458 |
Chemical Identifiers
| CAS Number | 3681-99-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3OC4C(C(C(C(O4)CO)O)O)O)O)O |
Product Overview
葛根素 (CAS 3681-99-0), with molecular formula C21H20O10 and molecular weight 432.11 g/mol. IUPAC: 7-hydroxy-3-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of 葛根素
Property Insights of 葛根素
The XLogP value of 0.0499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 葛根素. The TPSA of 170.05 Ų indicates high polarity, suggesting 葛根素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 葛根素 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 葛根素?
The CAS number of 葛根素 is 3681-99-0.
What is the molecular formula of 葛根素?
The molecular formula of 葛根素 is C21H20O10.
What is the molecular weight of 葛根素?
The molecular weight of 葛根素 is 432.11 g/mol.
Where can I buy 葛根素?
You can request a quote for 葛根素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 葛根素?
Yes, KEHONG BIO provides custom synthesis services for 葛根素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.