黄杞苷
TL;DR: 黄杞苷 (CAS 54141-72-9) is a chemical compound with molecular formula C21H22O10 and molecular weight 434.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
黄杞苷
(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
Also Known As: Engeletin, Engelitin, Astilbin, Dihydrojuncusol, Neoisoastilbin
| Molecular Formula | C21H22O10 |
|---|---|
| Molecular Weight | 434.12 g/mol |
| LogP | 0.3325 |
| Topological Polar Surface Area | 166.14 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.1213 |
| Heavy Atoms | 31 |
| Complexity | 974.8709 |
Chemical Identifiers
| CAS Number | 54141-72-9 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O |
Product Overview
黄杞苷 (CAS 54141-72-9), with molecular formula C21H22O10 and molecular weight 434.12 g/mol. IUPAC: (2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one.
Chemical Property Profile of 黄杞苷
Property Insights of 黄杞苷
The XLogP value of 0.3325 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 黄杞苷. The TPSA of 166.14 Ų indicates high polarity, suggesting 黄杞苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 黄杞苷 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 黄杞苷?
The CAS number of 黄杞苷 is 54141-72-9.
What is the molecular formula of 黄杞苷?
The molecular formula of 黄杞苷 is C21H22O10.
What is the molecular weight of 黄杞苷?
The molecular weight of 黄杞苷 is 434.12 g/mol.
Where can I buy 黄杞苷?
You can request a quote for 黄杞苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 黄杞苷?
Yes, KEHONG BIO provides custom synthesis services for 黄杞苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.