Ascofuranone
TL;DR: Ascofuranone (CAS 86832-77-1) is a chemical compound with molecular formula C23H29ClO5 and molecular weight 420.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-[(2E,6E)-7-(5,5-dimethyl-4-oxooxolan-2-yl)-3-methylocta-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde
Also Known As: Ascofuranone, DL-ascofuranone, Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-7-(tetrahydro-5,5-dimethyl-4-oxo-2-furanyl)-2,6-octadienyl)-, (E,E)-, 3-Chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3-methyl-7-(tetrahydro-5,5-dimethyl-4-oxo-2-furanyl)-2,6-octadien-1-yl]benzaldehyde, 3-chloro-5-[7-(5,5-dimethyl-4-oxooxolan-2-yl)-3-methylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde
| Molecular Formula | C23H29ClO5 |
|---|---|
| Molecular Weight | 420.17 g/mol |
| LogP | 5.22402 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.17035 |
| Heavy Atoms | 29 |
| Complexity | 879.98975 |
Chemical Identifiers
| CAS Number | 86832-77-1 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1Cl)O)C/C=C(\C)/CC/C=C(\C)/C2CC(=O)C(O2)(C)C)O)C=O |
Product Overview
Ascofuranone (CAS 86832-77-1), with molecular formula C23H29ClO5 and molecular weight 420.17 g/mol. IUPAC: 5-chloro-3-[(2E,6E)-7-(5,5-dimethyl-4-oxooxolan-2-yl)-3-methylocta-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde.
Chemical Property Profile of Ascofuranone
Property Insights of Ascofuranone
The XLogP value of 5.22402 indicates that Ascofuranone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Ascofuranone. Following Lipinski's Rule of Five, Ascofuranone has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ascofuranone?
The CAS number of Ascofuranone is 86832-77-1.
What is the molecular formula of Ascofuranone?
The molecular formula of Ascofuranone is C23H29ClO5.
What is the molecular weight of Ascofuranone?
The molecular weight of Ascofuranone is 420.17 g/mol.
Where can I buy Ascofuranone?
You can request a quote for Ascofuranone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ascofuranone?
Yes, KEHONG BIO provides custom synthesis services for Ascofuranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.