Penitrem E
TL;DR: Penitrem E (CAS 78213-66-8) is a chemical compound with molecular formula C37H45NO6 and molecular weight 599.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19(30),20,22(29)-tetraene-5,9,28-triol
Also Known As: Penitrem E, 6-Dechloropenitrem A, penitrem A, Dechloropenitrem A, Penitrem A, 6-dechloro-
| Molecular Formula | C37H45NO6 |
|---|---|
| Molecular Weight | 599.32 g/mol |
| LogP | 5.0083 |
| Topological Polar Surface Area | 107.47 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 599.3247 |
| Heavy Atoms | 44 |
| Complexity | 1742.2965 |
Chemical Identifiers
| CAS Number | 78213-66-8 |
|---|---|
| SMILES | CC(=C)[C@@H]1[C@@H]([C@@H]2[C@@]3(O2)[C@@H](O1)CC[C@]4([C@]3(CC[C@@H]5[C@@]4(C6=C7[C@H]5OC([C@H]8C[C@H]9[C@@]8(C1=C(CC9=C)C=CC(=C71)N6)O)(C)C)C)O)C)O |
Product Overview
Penitrem E (CAS 78213-66-8), with molecular formula C37H45NO6 and molecular weight 599.32 g/mol. IUPAC: (1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19(30),20,22(29)-tetraene-5,9,28-triol.
Chemical Property Profile of Penitrem E
Property Insights of Penitrem E
The XLogP value of 5.0083 indicates that Penitrem E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Penitrem E. Following Lipinski's Rule of Five, Penitrem E has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Penitrem E?
The CAS number of Penitrem E is 78213-66-8.
What is the molecular formula of Penitrem E?
The molecular formula of Penitrem E is C37H45NO6.
What is the molecular weight of Penitrem E?
The molecular weight of Penitrem E is 599.32 g/mol.
Where can I buy Penitrem E?
You can request a quote for Penitrem E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penitrem E?
Yes, KEHONG BIO provides custom synthesis services for Penitrem E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.