Asperugin
TL;DR: Asperugin (CAS 2102-72-9) is a chemical compound with molecular formula C24H32O5 and molecular weight 400.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-5-methoxy-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phthalaldehyde
Also Known As: Asperugin, 3-hydroxy-5-methoxy-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phthalaldehyde, 1,2-Benzenedicarboxaldehyde, 3-hydroxy-5-methoxy-4-((3,7,11-trimethyl-2,6,10-dodecatrienyl)oxy)-, (E,E)-, 3-hydroxy-5-methoxy-4-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy)phthalaldehyde, 3-Hydroxy-5-methoxy-4-[[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]oxy]-1,2-benzenedicarbaldehyde
| Molecular Formula | C24H32O5 |
|---|---|
| Molecular Weight | 400.22 g/mol |
| LogP | 5.8238 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 400.22498 |
| Heavy Atoms | 29 |
| Complexity | 795.9793 |
Chemical Identifiers
| CAS Number | 2102-72-9 |
|---|---|
| SMILES | CC(=CCC/C(=C/CC/C(=C/COC1=C(C=C(C(=C1O)C=O)C=O)OC)/C)/C)C |
Product Overview
Asperugin (CAS 2102-72-9), with molecular formula C24H32O5 and molecular weight 400.22 g/mol. IUPAC: 3-hydroxy-5-methoxy-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phthalaldehyde.
Chemical Property Profile of Asperugin
Property Insights of Asperugin
The XLogP value of 5.8238 indicates that Asperugin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Asperugin. Following Lipinski's Rule of Five, Asperugin has 1 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 Asperugin?
The CAS number of Asperugin is 2102-72-9.
What is the molecular formula of Asperugin?
The molecular formula of Asperugin is C24H32O5.
What is the molecular weight of Asperugin?
The molecular weight of Asperugin is 400.22 g/mol.
Where can I buy Asperugin?
You can request a quote for Asperugin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Asperugin?
Yes, KEHONG BIO provides custom synthesis services for Asperugin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.