Phallacidinamide
TL;DR: Phallacidinamide (CAS 58286-48-9) is a chemical compound with molecular formula C37H51N9O12S and molecular weight 845.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[28-(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-tetraen-34-yl]-2-hydroxyacetamide
Also Known As: Phallacidinamide, cyclic(L-Alanyl-2-mercapto-L-tryptophyl-4,5-dihydroxy-L-leucyl-L-valyl-2-amino-3-amido-propanedioyl-L-cysteinyl-cis-4-hydroxy-L-prolyl) cyclic (2-6)-sulfide, RefChem:1094648
| Molecular Formula | C37H51N9O12S |
|---|---|
| Molecular Weight | 845.34 g/mol |
| LogP | -4.6442 |
| Topological Polar Surface Area | 334.71 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 845.33777 |
| Heavy Atoms | 59 |
| Complexity | 1991.4192 |
Chemical Identifiers
| CAS Number | 58286-48-9 |
|---|---|
| SMILES | CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CO)O)C(C)C)C(C(=O)N)O |
Product Overview
Phallacidinamide (CAS 58286-48-9), with molecular formula C37H51N9O12S and molecular weight 845.34 g/mol. IUPAC: 2-[28-(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-tetraen-34-yl]-2-hydroxyacetamide.
Chemical Property Profile of Phallacidinamide
Property Insights of Phallacidinamide
The XLogP value of -4.6442 indicates that Phallacidinamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 334.71 Ų indicates high polarity, suggesting Phallacidinamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phallacidinamide has 12 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 Phallacidinamide?
The CAS number of Phallacidinamide is 58286-48-9.
What is the molecular formula of Phallacidinamide?
The molecular formula of Phallacidinamide is C37H51N9O12S.
What is the molecular weight of Phallacidinamide?
The molecular weight of Phallacidinamide is 845.34 g/mol.
Where can I buy Phallacidinamide?
You can request a quote for Phallacidinamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phallacidinamide?
Yes, KEHONG BIO provides custom synthesis services for Phallacidinamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.