Phallacidinmethylamide
TL;DR: Phallacidinmethylamide (CAS 58286-49-0) is a chemical compound with molecular formula C38H53N9O12S and molecular weight 859.35 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-hydroxy-N-methylacetamide
Also Known As: Phallacidinmethylamide, cyclic(L-Alanyl-2-mercapto-L-tryptophyl-4,5-dihydroxy-L-leucyl-L-valyl-2-amino-3-methylamido-propanedioyl-L-cysteinyl-cis-4-hydroxy-L-prolyl)cyclic (2-6)-sulfide, RefChem:1094650
| Molecular Formula | C38H53N9O12S |
|---|---|
| Molecular Weight | 859.35 g/mol |
| LogP | -4.3835 |
| Topological Polar Surface Area | 320.72 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 859.35345 |
| Heavy Atoms | 60 |
| Complexity | 2009.2189 |
Chemical Identifiers
| CAS Number | 58286-49-0 |
|---|---|
| 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)NC)O |
Product Overview
Phallacidinmethylamide (CAS 58286-49-0), with molecular formula C38H53N9O12S and molecular weight 859.35 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-hydroxy-N-methylacetamide.
Chemical Property Profile of Phallacidinmethylamide
Property Insights of Phallacidinmethylamide
The XLogP value of -4.3835 indicates that Phallacidinmethylamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 320.72 Ų indicates high polarity, suggesting Phallacidinmethylamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phallacidinmethylamide 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 Phallacidinmethylamide?
The CAS number of Phallacidinmethylamide is 58286-49-0.
What is the molecular formula of Phallacidinmethylamide?
The molecular formula of Phallacidinmethylamide is C38H53N9O12S.
What is the molecular weight of Phallacidinmethylamide?
The molecular weight of Phallacidinmethylamide is 859.35 g/mol.
Where can I buy Phallacidinmethylamide?
You can request a quote for Phallacidinmethylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phallacidinmethylamide?
Yes, KEHONG BIO provides custom synthesis services for Phallacidinmethylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.