Asebotin
TL;DR: Asebotin (CAS 11075-15-3) is a chemical compound with molecular formula C22H26O10 and molecular weight 450.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-hydroxy-4-methoxy-6-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
Also Known As: Asebotin, 1-[2-hydroxy-4-methoxy-6-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one, 3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenyl hexopyranoside, 3-Hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenyl alpha-L-talopyranoside
| Molecular Formula | C22H26O10 |
|---|---|
| Molecular Weight | 450.15 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.1526 |
| Heavy Atoms | 32 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 11075-15-3 |
|---|---|
| SMILES | COC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)C(=O)CCC3=CC=C(C=C3)O)O |
| InChIKey | PQCIBORQLVRFMR-PQZYZXGRSA-N |
Product Overview
Asebotin (CAS 11075-15-3), with molecular formula C22H26O10 and molecular weight 450.15 g/mol. IUPAC: 1-[2-hydroxy-4-methoxy-6-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one.
Chemical Property Profile of Asebotin
Property Insights of Asebotin
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Asebotin. The TPSA of 166.0 Ų indicates high polarity, suggesting Asebotin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Asebotin 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 Asebotin?
The CAS number of Asebotin is 11075-15-3.
What is the molecular formula of Asebotin?
The molecular formula of Asebotin is C22H26O10.
What is the molecular weight of Asebotin?
The molecular weight of Asebotin is 450.15 g/mol.
Where can I buy Asebotin?
You can request a quote for Asebotin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asebotin?
Yes, KEHONG BIO provides custom synthesis services for Asebotin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.