矢车菊苷
TL;DR: 矢车菊苷 (CAS 35595-03-0) is a chemical compound with molecular formula C24H26O13 and molecular weight 522.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
矢车菊苷
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Centaurein, CENTAUREIN [MI], CENTAUREIN, (-)-, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, 3',5,7-trihydroxy-3,4',6-trimethoxyflavone 7-beta-D-glucoside
| Molecular Formula | C24H26O13 |
|---|---|
| Molecular Weight | 522.14 g/mol |
| LogP | 0.0757 |
| Topological Polar Surface Area | 197.74 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.1373 |
| Heavy Atoms | 37 |
| Complexity | 1348.9482 |
Chemical Identifiers
| CAS Number | 35595-03-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O)OC)O |
Product Overview
矢车菊苷 (CAS 35595-03-0), with molecular formula C24H26O13 and molecular weight 522.14 g/mol. IUPAC: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of 矢车菊苷
Property Insights of 矢车菊苷
The XLogP value of 0.0757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 矢车菊苷. The TPSA of 197.74 Ų indicates high polarity, suggesting 矢车菊苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 矢车菊苷 has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 矢车菊苷?
The CAS number of 矢车菊苷 is 35595-03-0.
What is the molecular formula of 矢车菊苷?
The molecular formula of 矢车菊苷 is C24H26O13.
What is the molecular weight of 矢车菊苷?
The molecular weight of 矢车菊苷 is 522.14 g/mol.
Where can I buy 矢车菊苷?
You can request a quote for 矢车菊苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 矢车菊苷?
Yes, KEHONG BIO provides custom synthesis services for 矢车菊苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.