Pumiliotoxin B
TL;DR: Pumiliotoxin B (CAS 67016-65-3) is a chemical compound with molecular formula C19H33NO3 and molecular weight 323.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,2R,3R,8Z)-8-[(8S,8aS)-8-hydroxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-4,7-dimethyloct-4-ene-2,3-diol
Also Known As: Pumiliotoxin B, PTX-B, (E,2R,3R,8Z)-8-[(8S,8aS)-8-hydroxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-4,7-dimethyloct-4-ene-2,3-diol, 4-Octene-2,3-diol, 8-((8S,8aS)-hexahydro-8-hydroxy-8-methyl-6(5H)-indolizinylidene)-4,7-dimethyl-, (2R,3R,4E,7R,8Z)-, 4-Octene-2,3-diol, 8-(hexahydro-8-hydroxy-8-methyl-6(5H)-indolizinylidene)-4,7-dimethyl-, (8S-(6Z(2S*,3S*,4E,7S*)-8-alpha,8a-beta))-
| Molecular Formula | C19H33NO3 |
|---|---|
| Molecular Weight | 323.25 g/mol |
| LogP | 2.2461 |
| Topological Polar Surface Area | 63.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.24603 |
| Heavy Atoms | 23 |
| Complexity | 467.23517 |
Chemical Identifiers
| CAS Number | 67016-65-3 |
|---|---|
| SMILES | C[C@H]([C@@H](/C(=C/CC(C)/C=C\1/C[C@]([C@@H]2CCCN2C1)(C)O)/C)O)O |
Product Overview
Pumiliotoxin B (CAS 67016-65-3), with molecular formula C19H33NO3 and molecular weight 323.25 g/mol. IUPAC: (E,2R,3R,8Z)-8-[(8S,8aS)-8-hydroxy-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-6-ylidene]-4,7-dimethyloct-4-ene-2,3-diol.
Chemical Property Profile of Pumiliotoxin B
Property Insights of Pumiliotoxin B
The XLogP value of 2.2461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pumiliotoxin B. The TPSA of 63.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Pumiliotoxin B. Following Lipinski's Rule of Five, Pumiliotoxin B has 3 hydrogen bond donor(s) and 4 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 Pumiliotoxin B?
The CAS number of Pumiliotoxin B is 67016-65-3.
What is the molecular formula of Pumiliotoxin B?
The molecular formula of Pumiliotoxin B is C19H33NO3.
What is the molecular weight of Pumiliotoxin B?
The molecular weight of Pumiliotoxin B is 323.25 g/mol.
Where can I buy Pumiliotoxin B?
You can request a quote for Pumiliotoxin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pumiliotoxin B?
Yes, KEHONG BIO provides custom synthesis services for Pumiliotoxin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.