落新妇苷
TL;DR: 落新妇苷 (CAS 29838-67-3) 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.
落新妇苷
(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
Also Known As: Astilbin, Isoastilbin, Neoisoastilbin, Taxifolin 3-O-rhamnoside, Neoastilbin
| Molecular Formula | C21H22O11 |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.1162 |
| Heavy Atoms | 32 |
| Complexity | 676.0 |
| Melting Point | 179 - 180 °C |
Chemical Identifiers
| CAS Number | 29838-67-3 |
|---|---|
| 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)O |
| InChIKey | ZROGCCBNZBKLEL-MPRHSVQHSA-N |
Product Overview
落新妇苷 (CAS 29838-67-3), with molecular formula C21H22O11 and molecular weight 450.12 g/mol. IUPAC: (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one.
Chemical Property Profile of 落新妇苷
Property Insights of 落新妇苷
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 落新妇苷. The TPSA of 186.0 Ų indicates high polarity, suggesting 落新妇苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 落新妇苷 has 7 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 落新妇苷?
The CAS number of 落新妇苷 is 29838-67-3.
What is the molecular formula of 落新妇苷?
The molecular formula of 落新妇苷 is C21H22O11.
What is the molecular weight of 落新妇苷?
The molecular weight of 落新妇苷 is 450.12 g/mol.
Where can I buy 落新妇苷?
You can request a quote for 落新妇苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 落新妇苷?
Yes, KEHONG BIO provides custom synthesis services for 落新妇苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.