Neobudofficide
TL;DR: Neobudofficide (CAS 194602-91-0) is a chemical compound with molecular formula C34H42O18 and molecular weight 738.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one
Also Known As: Neobudofficide, 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one, acacetin-7-O-[2''-O-alpha-L-rhamnopyranosyl-6''-O-alpha-L-rhamnopyranosyl]-beta-D-glucopyranoside
| Molecular Formula | C34H42O18 |
|---|---|
| Molecular Weight | 738.24 g/mol |
| LogP | -1.9435 |
| Topological Polar Surface Area | 276.89 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 738.2371 |
| Heavy Atoms | 52 |
| Complexity | 1731.8217 |
Chemical Identifiers
| CAS Number | 194602-91-0 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)O)O)O)O |
Product Overview
Neobudofficide (CAS 194602-91-0), with molecular formula C34H42O18 and molecular weight 738.24 g/mol. IUPAC: 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chromen-4-one.
Chemical Property Profile of Neobudofficide
Property Insights of Neobudofficide
The XLogP value of -1.9435 indicates that Neobudofficide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 276.89 Ų indicates high polarity, suggesting Neobudofficide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neobudofficide has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neobudofficide?
The CAS number of Neobudofficide is 194602-91-0.
What is the molecular formula of Neobudofficide?
The molecular formula of Neobudofficide is C34H42O18.
What is the molecular weight of Neobudofficide?
The molecular weight of Neobudofficide is 738.24 g/mol.
Where can I buy Neobudofficide?
You can request a quote for Neobudofficide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neobudofficide?
Yes, KEHONG BIO provides custom synthesis services for Neobudofficide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.