Ascochlorin
TL;DR: Ascochlorin (CAS 26166-39-2) is a chemical compound with molecular formula C23H29ClO4 and molecular weight 404.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2,4-dihydroxy-6-methyl-3-[3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)penta-2,4-dienyl]benzaldehyde
Also Known As: Ascochlorin, Ilicicolin D, LL-Z 1272 gamma, Antibiotic LL-Z1272 gamma, 3-Chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)-2,4-pentadienyl)benzaldehyde (1R-(1alpha(2E,4E),2beta,6beta))-
| Molecular Formula | C23H29ClO4 |
|---|---|
| Molecular Weight | 404.18 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.17545 |
| Heavy Atoms | 28 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 26166-39-2 |
|---|---|
| SMILES | CC1CCC(=O)C(C1(C)C=CC(=CCC2=C(C(=C(C(=C2O)Cl)C)C=O)O)C)C |
| InChIKey | SETVRSKZJJWOPA-UHFFFAOYSA-N |
Product Overview
Ascochlorin (CAS 26166-39-2), with molecular formula C23H29ClO4 and molecular weight 404.18 g/mol. IUPAC: 5-chloro-2,4-dihydroxy-6-methyl-3-[3-methyl-5-(1,2,6-trimethyl-3-oxocyclohexyl)penta-2,4-dienyl]benzaldehyde.
Chemical Property Profile of Ascochlorin
Property Insights of Ascochlorin
The XLogP value of 6.2 indicates that Ascochlorin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ascochlorin. Following Lipinski's Rule of Five, Ascochlorin has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ascochlorin?
The CAS number of Ascochlorin is 26166-39-2.
What is the molecular formula of Ascochlorin?
The molecular formula of Ascochlorin is C23H29ClO4.
What is the molecular weight of Ascochlorin?
The molecular weight of Ascochlorin is 404.18 g/mol.
Where can I buy Ascochlorin?
You can request a quote for Ascochlorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ascochlorin?
Yes, KEHONG BIO provides custom synthesis services for Ascochlorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.