Penitrem B
TL;DR: Penitrem B (CAS 11076-67-8) is a chemical compound with molecular formula C37H45NO5 and molecular weight 583.33 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,25S,27S,28S)-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-diol
Also Known As: Penitrem B, Tremortin B, penitrem A, PENITREMB, 6-Dechloro-15-deoxypenitrem A
| Molecular Formula | C37H45NO5 |
|---|---|
| Molecular Weight | 583.33 g/mol |
| LogP | 5.9043 |
| Topological Polar Surface Area | 87.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 583.3298 |
| Heavy Atoms | 43 |
| Complexity | 1688.895 |
Chemical Identifiers
| CAS Number | 11076-67-8 |
|---|---|
| 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@@H]8C1=C(CC9=C)C=CC(=C17)N6)(C)C)C)O)C)O |
Product Overview
Penitrem B (CAS 11076-67-8), with molecular formula C37H45NO5 and molecular weight 583.33 g/mol. IUPAC: (1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25S,27S,28S)-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-diol.
Chemical Property Profile of Penitrem B
Property Insights of Penitrem B
The XLogP value of 5.9043 indicates that Penitrem B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Penitrem B. Following Lipinski's Rule of Five, Penitrem B has 3 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 Penitrem B?
The CAS number of Penitrem B is 11076-67-8.
What is the molecular formula of Penitrem B?
The molecular formula of Penitrem B is C37H45NO5.
What is the molecular weight of Penitrem B?
The molecular weight of Penitrem B is 583.33 g/mol.
Where can I buy Penitrem B?
You can request a quote for Penitrem B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penitrem B?
Yes, KEHONG BIO provides custom synthesis services for Penitrem B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.