Spectrum5_000572
TL;DR: Spectrum5_000572 (CAS 100405-62-7) is a chemical compound with molecular formula C21H22O8 and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-phenylprop-2-en-1-one
Also Known As: Spectrum5_000572, SPECTRUM200258, 2',4'-DIHYDROXYCHALCONE 4'-GLUCOSIDE, ERK5-5N10, KBio2_003896
| Molecular Formula | C21H22O8 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 0.467 |
| Topological Polar Surface Area | 136.68 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.13147 |
| Heavy Atoms | 29 |
| Complexity | 864.23975 |
Chemical Identifiers
| CAS Number | 100405-62-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=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 |
Product Overview
Spectrum5_000572 (CAS 100405-62-7), with molecular formula C21H22O8 and molecular weight 402.13 g/mol. IUPAC: (E)-1-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-phenylprop-2-en-1-one.
Chemical Property Profile of Spectrum5_000572
Property Insights of Spectrum5_000572
The XLogP value of 0.467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spectrum5_000572. The TPSA of 136.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Spectrum5_000572. Following Lipinski's Rule of Five, Spectrum5_000572 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Spectrum5_000572?
The CAS number of Spectrum5_000572 is 100405-62-7.
What is the molecular formula of Spectrum5_000572?
The molecular formula of Spectrum5_000572 is C21H22O8.
What is the molecular weight of Spectrum5_000572?
The molecular weight of Spectrum5_000572 is 402.13 g/mol.
Where can I buy Spectrum5_000572?
You can request a quote for Spectrum5_000572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spectrum5_000572?
Yes, KEHONG BIO provides custom synthesis services for Spectrum5_000572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.