马里苷
TL;DR: 马里苷 (CAS 535-96-6) is a chemical compound with molecular formula C21H22O11 and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
马里苷
3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
Also Known As: Marein, Marein with hplc
| Molecular Formula | C21H22O11 |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.1162 |
| Heavy Atoms | 32 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 535-96-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=CC(=O)C2=C(C(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O |
| InChIKey | XGEYXJDOVMEJNG-CMWLGVBASA-N |
Product Overview
马里苷 (CAS 535-96-6), with molecular formula C21H22O11 and molecular weight 450.12 g/mol. IUPAC: 3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one.
Chemical Property Profile of 马里苷
Property Insights of 马里苷
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 马里苷. The TPSA of 197.0 Ų indicates high polarity, suggesting 马里苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 马里苷 has 8 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 马里苷?
The CAS number of 马里苷 is 535-96-6.
What is the molecular formula of 马里苷?
The molecular formula of 马里苷 is C21H22O11.
What is the molecular weight of 马里苷?
The molecular weight of 马里苷 is 450.12 g/mol.
Where can I buy 马里苷?
You can request a quote for 马里苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 马里苷?
Yes, KEHONG BIO provides custom synthesis services for 马里苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.