Amurensin
TL;DR: Amurensin (CAS 641-94-1) is a chemical compound with molecular formula C26H30O12 and molecular weight 534.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Amurensin, Noricaritin 7-I2-D-glucopyranoside, Noricaritin 7-beta-D-glucopyranoside, 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-, kaempferol, 8-(3-hydroxy-3-methylbutyl)-7-glucoside
| Molecular Formula | C26H30O12 |
|---|---|
| Molecular Weight | 534.17 g/mol |
| LogP | 0.459 |
| Topological Polar Surface Area | 210.51 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 534.1737 |
| Heavy Atoms | 38 |
| Complexity | 1356.122 |
Chemical Identifiers
| CAS Number | 641-94-1 |
|---|---|
| SMILES | CC(C)(CCC1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
Product Overview
Amurensin (CAS 641-94-1), with molecular formula C26H30O12 and molecular weight 534.17 g/mol. IUPAC: 3,5-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Amurensin
Property Insights of Amurensin
The XLogP value of 0.459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amurensin. The TPSA of 210.51 Ų indicates high polarity, suggesting Amurensin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amurensin has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amurensin?
The CAS number of Amurensin is 641-94-1.
What is the molecular formula of Amurensin?
The molecular formula of Amurensin is C26H30O12.
What is the molecular weight of Amurensin?
The molecular weight of Amurensin is 534.17 g/mol.
Where can I buy Amurensin?
You can request a quote for Amurensin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amurensin?
Yes, KEHONG BIO provides custom synthesis services for Amurensin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.