4-O-Methylascochlorin
TL;DR: 4-O-Methylascochlorin (CAS 38561-59-0) is a chemical compound with molecular formula C24H31ClO4 and molecular weight 418.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-hydroxy-4-methoxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde
Also Known As: 4-O-Methylascochlorin, 4-O-methyl-ascochlorin, SID:464079046, Ethyl N-benzoyl-N-(3,4-dichlorophenyl)alaninate, 5-chloro-2-hydroxy-4-methoxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde
| Molecular Formula | C24H31ClO4 |
|---|---|
| Molecular Weight | 418.19 g/mol |
| LogP | 5.86152 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.1911 |
| Heavy Atoms | 29 |
| Complexity | 868.367 |
Chemical Identifiers
| CAS Number | 38561-59-0 |
|---|---|
| SMILES | C[C@@H]1CCC(=O)[C@@H]([C@@]1(C)/C=C/C(=C/CC2=C(C(=C(C(=C2OC)Cl)C)C=O)O)/C)C |
Product Overview
4-O-Methylascochlorin (CAS 38561-59-0), with molecular formula C24H31ClO4 and molecular weight 418.19 g/mol. IUPAC: 5-chloro-2-hydroxy-4-methoxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde.
Chemical Property Profile of 4-O-Methylascochlorin
Property Insights of 4-O-Methylascochlorin
The XLogP value of 5.86152 indicates that 4-O-Methylascochlorin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-Methylascochlorin. Following Lipinski's Rule of Five, 4-O-Methylascochlorin has 1 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 4-O-Methylascochlorin?
The CAS number of 4-O-Methylascochlorin is 38561-59-0.
What is the molecular formula of 4-O-Methylascochlorin?
The molecular formula of 4-O-Methylascochlorin is C24H31ClO4.
What is the molecular weight of 4-O-Methylascochlorin?
The molecular weight of 4-O-Methylascochlorin is 418.19 g/mol.
Where can I buy 4-O-Methylascochlorin?
You can request a quote for 4-O-Methylascochlorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-Methylascochlorin?
Yes, KEHONG BIO provides custom synthesis services for 4-O-Methylascochlorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.