Phallacidin
TL;DR: Phallacidin (CAS 2754-27-0) is a chemical compound with molecular formula C36H48N8O12S and molecular weight 816.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,14R,20S,23S,28S,34S)-28-[(2S)-2,3-dihydroxy-2-methylpropyl]-18-hydroxy-23-methyl-15,21,24,26,29,32,35-heptaoxo-31-propan-2-yl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-34-carboxylic acid
Also Known As: Phallacidin, KST-1A3387, (3as,6s,9s,18r,23s,29s)-29-[(2s)-2,3-dihydroxy-2-methylpropyl]-2-hydroxy-6-methyl-4,7,19,22,25,28,31-heptaoxo-26-(propan-2-yl)-1,2,3,3a,4,5,6,7,8,9,10,15,18,19-tetradecahydro-17h-18,9-(epiminoethanoiminoethanoiminoethanoiminomethano)pyrrolo[1',2':5,6][1,5,8,11]thiatriazacyclopentadecino[15,14-b]indole-23-carboxylic acid, [(2S)-2,3-dihydroxy-2-methyl-propyl]-hydroxy-isopropyl-methyl-heptaoxo-[?]carboxylic acid, Cyclo(L-alanyl-2-mercapto-L-tryptophanyl-4,5-dihydroxy-L-leucyl-L-valyl-erythro-3-hydroxy-D-.alpha.-aspartyl-L-cysteinyl-cis-4-hydroxy-L-prolyl, cyclic (2, 6)-sulfide
| Molecular Formula | C36H48N8O12S |
|---|---|
| Molecular Weight | 816.31 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 334.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 816.3112 |
| Heavy Atoms | 57 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 2754-27-0 |
|---|---|
| SMILES | C[C@H]1C(=O)N[C@H]2CC3=C(NC4=CC=CC=C34)SC[C@@H](C(=O)N5CC(C[C@H]5C(=O)N1)O)NC(=O)[C@H](NC(=O)C(NC(=O)[C@@H](NC2=O)C[C@@](C)(CO)O)C(C)C)C(=O)O |
| InChIKey | WFTPZVCBTJDQRQ-RIENQSPCSA-N |
Product Overview
Phallacidin (CAS 2754-27-0), with molecular formula C36H48N8O12S and molecular weight 816.31 g/mol. IUPAC: (1S,14R,20S,23S,28S,34S)-28-[(2S)-2,3-dihydroxy-2-methylpropyl]-18-hydroxy-23-methyl-15,21,24,26,29,32,35-heptaoxo-31-propan-2-yl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-34-carboxylic acid.
Chemical Property Profile of Phallacidin
Property Insights of Phallacidin
The XLogP value of -0.7 indicates that Phallacidin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 334.0 Ų indicates high polarity, suggesting Phallacidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phallacidin has 11 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phallacidin?
The CAS number of Phallacidin is 2754-27-0.
What is the molecular formula of Phallacidin?
The molecular formula of Phallacidin is C36H48N8O12S.
What is the molecular weight of Phallacidin?
The molecular weight of Phallacidin is 816.31 g/mol.
Where can I buy Phallacidin?
You can request a quote for Phallacidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phallacidin?
Yes, KEHONG BIO provides custom synthesis services for Phallacidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.