Pukeensine
TL;DR: Pukeensine (CAS 144442-84-2) is a chemical compound with molecular formula C44H64N2O3 and molecular weight 668.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,11R,13R,15S,16S)-5-methyl-12-methylidene-7-[2-[[(5R,6R,18R,19S)-5-methyl-7-oxa-10-azaheptacyclo[10.6.2.213,16.01,11.05,19.06,10.013,18]docosan-15-yl]methoxy]ethyl]-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecan-11-ol
Also Known As: Pukeensine, (8R,9S,11R,13R,15S,16S)-5-Methyl-12-methylidene-7-[2-[[(5R,6R,18R,19S)-5-methyl-7-oxa-10-azaheptacyclo[10.6.2.213,16.01,11.05,19.06,10.013,18]docosan-15-yl]methoxy]ethyl]-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecan-11-ol, 7,20-Cycloatid-16-en-15-ol, 21-(2-((15-deoxy-16,17-dihydro-19,24-cyclo-20,24-secoatisin-17-yl)oxy)ethyl)-
| Molecular Formula | C44H64N2O3 |
|---|---|
| Molecular Weight | 668.49 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 45.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 668.4917 |
| Heavy Atoms | 49 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 144442-84-2 |
|---|---|
| SMILES | C[C@@]12CCCC34[C@@H]1CC(C3N5[C@@H]2OCC5)C67[C@H]4CC(CC6)C(C7)COCCN8CC9(CCCC12[C@H]9C[C@H]([C@H]18)C13[C@H]2C[C@@H](CC1)C(=C)[C@H]3O)C |
| InChIKey | KVOUULIRGZGBLJ-KKRWWXOISA-N |
Product Overview
Pukeensine (CAS 144442-84-2), with molecular formula C44H64N2O3 and molecular weight 668.49 g/mol. IUPAC: (8R,9S,11R,13R,15S,16S)-5-methyl-12-methylidene-7-[2-[[(5R,6R,18R,19S)-5-methyl-7-oxa-10-azaheptacyclo[10.6.2.213,16.01,11.05,19.06,10.013,18]docosan-15-yl]methoxy]ethyl]-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecan-11-ol.
Chemical Property Profile of Pukeensine
Property Insights of Pukeensine
The XLogP value of 7.5 indicates that Pukeensine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.2 Ų, Pukeensine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pukeensine 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 Pukeensine?
The CAS number of Pukeensine is 144442-84-2.
What is the molecular formula of Pukeensine?
The molecular formula of Pukeensine is C44H64N2O3.
What is the molecular weight of Pukeensine?
The molecular weight of Pukeensine is 668.49 g/mol.
Where can I buy Pukeensine?
You can request a quote for Pukeensine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pukeensine?
Yes, KEHONG BIO provides custom synthesis services for Pukeensine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.