Apicularen A
TL;DR: Apicularen A (CAS 220757-04-0) is a chemical compound with molecular formula C25H31NO6 and molecular weight 441.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z,4Z)-N-[(E)-3-(7,15-dihydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-11-yl)prop-1-enyl]hepta-2,4-dienamide
Also Known As: apicularen A, SID:53789560, (2Z,4Z)-N-((E)-3-((1S,11S,13R,15R)-7,15-dihydroxy-9-oxo-10,17-dioxatricyclo(11.3.1.03,8)heptadeca-3(8),4,6-trien-11-yl)prop-1-enyl)hepta-2,4-dienamide, (2Z,4Z)-N-((E)-3-(7,15-dihydroxy-9-oxo-10,17-dioxatricyclo(11.3.1.03,8)heptadeca-3(8),4,6-trien-11-yl)prop-1-enyl)hepta-2,4-dienamide, (2Z,4Z)-N-[(E)-3-(7,15-dihydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-11-yl)prop-1-enyl]hepta-2,4-dienamide
| Molecular Formula | C25H31NO6 |
|---|---|
| Molecular Weight | 441.22 g/mol |
| LogP | 3.3147 |
| Topological Polar Surface Area | 105.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.21515 |
| Heavy Atoms | 32 |
| Complexity | 890.4184 |
Chemical Identifiers
| CAS Number | 220757-04-0 |
|---|---|
| SMILES | CC/C=C\C=C/C(=O)N/C=C/CC1CC2CC(CC(O2)CC3=C(C(=CC=C3)O)C(=O)O1)O |
Product Overview
Apicularen A (CAS 220757-04-0), with molecular formula C25H31NO6 and molecular weight 441.22 g/mol. IUPAC: (2Z,4Z)-N-[(E)-3-(7,15-dihydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-11-yl)prop-1-enyl]hepta-2,4-dienamide.
Chemical Property Profile of Apicularen A
Property Insights of Apicularen A
The XLogP value of 3.3147 indicates that Apicularen A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Apicularen A. Following Lipinski's Rule of Five, Apicularen A has 3 hydrogen bond donor(s) and 6 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 Apicularen A?
The CAS number of Apicularen A is 220757-04-0.
What is the molecular formula of Apicularen A?
The molecular formula of Apicularen A is C25H31NO6.
What is the molecular weight of Apicularen A?
The molecular weight of Apicularen A is 441.22 g/mol.
Where can I buy Apicularen A?
You can request a quote for Apicularen A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apicularen A?
Yes, KEHONG BIO provides custom synthesis services for Apicularen A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.