Phallacidindimethylamide
TL;DR: Phallacidindimethylamide (CAS 58286-50-3) is a chemical compound with molecular formula C39H55N9O12S and molecular weight 873.37 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,N-dimethylacetamide
Also Known As: Phallacidindimethylamide, cyclic(L-Alanyl-2-mercapto-L-tryptophyl-4,5-dihydroxy-L-leucyl-L-valyl-2-amino-3-dimethylamido-propanedioyl-L-cysteinyl-cis-4-hydroxy-L-prolyl) cyclic (2-6)-sulfide, RefChem:1094649
| Molecular Formula | C39H55N9O12S |
|---|---|
| Molecular Weight | 873.37 g/mol |
| LogP | -4.0413 |
| Topological Polar Surface Area | 311.93 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 873.3691 |
| Heavy Atoms | 61 |
| Complexity | 2042.2 |
Chemical Identifiers
| CAS Number | 58286-50-3 |
|---|---|
| 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(C)C)O |
Product Overview
Phallacidindimethylamide (CAS 58286-50-3), with molecular formula C39H55N9O12S and molecular weight 873.37 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,N-dimethylacetamide.
Chemical Property Profile of Phallacidindimethylamide
Property Insights of Phallacidindimethylamide
The XLogP value of -4.0413 indicates that Phallacidindimethylamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 311.93 Ų indicates high polarity, suggesting Phallacidindimethylamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phallacidindimethylamide 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 Phallacidindimethylamide?
The CAS number of Phallacidindimethylamide is 58286-50-3.
What is the molecular formula of Phallacidindimethylamide?
The molecular formula of Phallacidindimethylamide is C39H55N9O12S.
What is the molecular weight of Phallacidindimethylamide?
The molecular weight of Phallacidindimethylamide is 873.37 g/mol.
Where can I buy Phallacidindimethylamide?
You can request a quote for Phallacidindimethylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phallacidindimethylamide?
Yes, KEHONG BIO provides custom synthesis services for Phallacidindimethylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.