Aphelandrine
TL;DR: Aphelandrine (CAS 69721-57-9) is a chemical compound with molecular formula C28H36N4O4 and molecular weight 492.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11R,17S,18S)-17-(4-hydroxyphenyl)-16-oxa-1,6,10,23-tetrazatetracyclo[9.8.6.212,15.014,18]heptacosa-12,14,26-triene-19,24-dione
Also Known As: Aphelandrine, Orantine, KST-1A8754, (3s,3as,15r)-3-(4-hydroxyphenyl)-3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-4h-1,16-etheno-5,15-(propanoiminoethano)furo[3,4-l][1,5,10]triazacyclohexadecine-4,21-dione, (11R,17S,18S)-17-(4-Hydroxyphenyl)-16-oxa-1,6,10,23-tetrazatetracyclo[9.8.6.212,15.014,18]heptacosa-12,14,26-triene-19,24-dione
| Molecular Formula | C28H36N4O4 |
|---|---|
| Molecular Weight | 492.27 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 492.27365 |
| Heavy Atoms | 36 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 69721-57-9 |
|---|---|
| SMILES | C1CCN2CCCNC(=O)C[C@H](C3=CC4=C(C=C3)O[C@@H]([C@H]4C2=O)C5=CC=C(C=C5)O)NCCCNC1 |
| InChIKey | ASCIWXOCZAWSON-DURWQBQJSA-N |
Product Overview
Aphelandrine (CAS 69721-57-9), with molecular formula C28H36N4O4 and molecular weight 492.27 g/mol. IUPAC: (11R,17S,18S)-17-(4-hydroxyphenyl)-16-oxa-1,6,10,23-tetrazatetracyclo[9.8.6.212,15.014,18]heptacosa-12,14,26-triene-19,24-dione.
Chemical Property Profile of Aphelandrine
Property Insights of Aphelandrine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aphelandrine. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aphelandrine. Following Lipinski's Rule of Five, Aphelandrine has 4 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 Aphelandrine?
The CAS number of Aphelandrine is 69721-57-9.
What is the molecular formula of Aphelandrine?
The molecular formula of Aphelandrine is C28H36N4O4.
What is the molecular weight of Aphelandrine?
The molecular weight of Aphelandrine is 492.27 g/mol.
Where can I buy Aphelandrine?
You can request a quote for Aphelandrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aphelandrine?
Yes, KEHONG BIO provides custom synthesis services for Aphelandrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.