Acrofolione B
TL;DR: Acrofolione B (CAS 820975-62-0) is a chemical compound with molecular formula C32H42O9 and molecular weight 570.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[1-[3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-methylbutyl]-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]ethanone
Also Known As: Acrofolione B, NCI60_040249, 1-[3-{1-[7-acetyl-4,6-dihydroxy-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-1-benzofuran-5-yl]-3-methylbutyl}-2,4-dihydroxy-6-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]ethanone, 1-[5-[1-[3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-methylbutyl]-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]ethanone
| Molecular Formula | C32H42O9 |
|---|---|
| Molecular Weight | 570.28 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 570.2829 |
| Heavy Atoms | 41 |
| Complexity | 957.0 |
Chemical Identifiers
| CAS Number | 820975-62-0 |
|---|---|
| SMILES | CC(C)CC(C1=C(C(=C2C(=C1O)CC(O2)C(C)(C)O)C(=O)C)O)C3=C(C(=C(C(=C3O)CC=C(C)C)OC)C(=O)C)O |
| InChIKey | BAXWGCKHMROHKQ-UHFFFAOYSA-N |
Product Overview
Acrofolione B (CAS 820975-62-0), with molecular formula C32H42O9 and molecular weight 570.28 g/mol. IUPAC: 1-[5-[1-[3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-methylbutyl]-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]ethanone.
Chemical Property Profile of Acrofolione B
Property Insights of Acrofolione B
The XLogP value of 6.5 indicates that Acrofolione B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting Acrofolione B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acrofolione B has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acrofolione B?
The CAS number of Acrofolione B is 820975-62-0.
What is the molecular formula of Acrofolione B?
The molecular formula of Acrofolione B is C32H42O9.
What is the molecular weight of Acrofolione B?
The molecular weight of Acrofolione B is 570.28 g/mol.
Where can I buy Acrofolione B?
You can request a quote for Acrofolione B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrofolione B?
Yes, KEHONG BIO provides custom synthesis services for Acrofolione B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.