4-(Acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid
TL;DR: 4-(Acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid (CAS 110231-33-9) is a chemical compound with molecular formula C22H41NO7 and molecular weight 431.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid
Also Known As: Fumifungin, 4-(acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid
| Molecular Formula | C22H41NO7 |
|---|---|
| Molecular Weight | 431.29 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 431.2883 |
| Heavy Atoms | 30 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 110231-33-9 |
|---|---|
| SMILES | CCCCCCC(CCCCCCC=CC(C(C(C(C(=O)O)N)O)OC(=O)C)O)O |
| InChIKey | OOEOVXMORBPOKC-UHFFFAOYSA-N |
Product Overview
4-(Acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid (CAS 110231-33-9), with molecular formula C22H41NO7 and molecular weight 431.29 g/mol. IUPAC: 4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid.
Chemical Property Profile of 4-(Acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid
Property Insights of 4-(Acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid. The TPSA of 150.0 Ų indicates high polarity, suggesting 4-(Acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(Acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid?
The CAS number of 4-(Acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid is 110231-33-9.
What is the molecular formula of 4-(Acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid?
The molecular formula of 4-(Acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid is C22H41NO7.
What is the molecular weight of 4-(Acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid?
The molecular weight of 4-(Acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid is 431.29 g/mol.
Where can I buy 4-(Acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid?
You can request a quote for 4-(Acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Acetyloxy)-2-amino-3,5,14-trihydroxyicos-6-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.