Wushanicariin
TL;DR: Wushanicariin (CAS 1155161-13-9) is a chemical compound with molecular formula C27H30O11 and molecular weight 530.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dihydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Wushanicariin, methyl 3-(4-chlorobenzylamino)butyrate, 3',5',7-Trihydroxy-4'-methoxy-6-(3,3-dimethylallyl)flavone-7-glucopyranoside, 2-(3,5-dihydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, 4H-1-Benzopyran-4-one, 2-(3,5-dihydroxy-4-methoxyphenyl)-7-(beta-D-glucopyranosyloxy)-6-(3-methyl-2-butenyl)-
| Molecular Formula | C27H30O11 |
|---|---|
| Molecular Weight | 530.18 g/mol |
| LogP | 1.5672 |
| Topological Polar Surface Area | 179.28 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.17883 |
| Heavy Atoms | 38 |
| Complexity | 1381.1298 |
Chemical Identifiers
| CAS Number | 1155161-13-9 |
|---|---|
| SMILES | CC(=CCC1=CC2=C(C=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=CC2=O)C4=CC(=C(C(=C4)O)OC)O)C |
Product Overview
Wushanicariin (CAS 1155161-13-9), with molecular formula C27H30O11 and molecular weight 530.18 g/mol. IUPAC: 2-(3,5-dihydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Wushanicariin
Property Insights of Wushanicariin
The XLogP value of 1.5672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Wushanicariin. The TPSA of 179.28 Ų indicates high polarity, suggesting Wushanicariin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Wushanicariin has 6 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 Wushanicariin?
The CAS number of Wushanicariin is 1155161-13-9.
What is the molecular formula of Wushanicariin?
The molecular formula of Wushanicariin is C27H30O11.
What is the molecular weight of Wushanicariin?
The molecular weight of Wushanicariin is 530.18 g/mol.
Where can I buy Wushanicariin?
You can request a quote for Wushanicariin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Wushanicariin?
Yes, KEHONG BIO provides custom synthesis services for Wushanicariin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.