水飞蓟似素 A
TL;DR: 水飞蓟似素 A (CAS 22888-70-6) is a chemical compound with molecular formula C25H22O10 and molecular weight 482.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
水飞蓟似素 A
(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
Also Known As: silibinin, Silybin, Silybin A, Silibinin A, Silymarin I
| Molecular Formula | C25H22O10 |
|---|---|
| Molecular Weight | 482.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 482.1213 |
| Heavy Atoms | 35 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 22888-70-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[C@@H]2[C@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O |
| InChIKey | SEBFKMXJBCUCAI-HKTJVKLFSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
水飞蓟似素 A (CAS 22888-70-6), with molecular formula C25H22O10 and molecular weight 482.12 g/mol. IUPAC: (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one.
Chemical Property Profile of 水飞蓟似素 A
Property Insights of 水飞蓟似素 A
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 水飞蓟似素 A. The TPSA of 155.0 Ų indicates high polarity, suggesting 水飞蓟似素 A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 水飞蓟似素 A has 5 hydrogen bond donor(s) and 10 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 水飞蓟似素 A?
The CAS number of 水飞蓟似素 A is 22888-70-6.
What is the molecular formula of 水飞蓟似素 A?
The molecular formula of 水飞蓟似素 A is C25H22O10.
What is the molecular weight of 水飞蓟似素 A?
The molecular weight of 水飞蓟似素 A is 482.12 g/mol.
Where can I buy 水飞蓟似素 A?
You can request a quote for 水飞蓟似素 A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 水飞蓟似素 A?
Yes, KEHONG BIO provides custom synthesis services for 水飞蓟似素 A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.