TL;DR: Mca tris salt (CAS 100098-41-7) is a chemical compound with molecular formula C18H31N5O10S2 and molecular weight 541.15125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-2-(hydroxymethyl)propane-1,3-diol;[(2-nitro-5-propylsulfanylphenyl)iminomethylamino] 2-(methoxycarbonylamino)ethanesulfonate
Also Known As: Mca tris salt, 2-((Methoxycarbonylamino)-(2-nitro-5-(n-propylthio)phenylimino)methylamino)ethansulfonic acid, ALA-GLY-ASN-LYS-VAL-ILE-SER-PRO-SER-GLU-ASP-ARG-ARG-GLN-CYS, 2-amino-2-(hydroxymethyl)propane-1,3-diol;[(2-nitro-5-propylsulfanylphenyl)iminomethylamino] 2-(methoxycarbonylamino)ethanesulfonate, 2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-di-3-cyclohexen-1-yl-3,9-dimethyl-
| Molecular Formula | C18H31N5O10S2 |
| Molecular Weight | 541.15125 g/mol |
| XLogP | -0.3755 |
| Topological Polar Surface Area (TPSA) | 272.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 541.15125 Da |
| Heavy Atoms | 35 |
| Complexity | 658.0 |
| SMILES | CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N=CNOS(=O)(=O)CCNC(=O)OC.C(C(CO)(CO)N)O |
| InChIKey | CFPLEHFJBFUXGU-UHFFFAOYSA-N |
The XLogP value of -0.3755 indicates that Mca tris salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 272.0 Ų indicates high polarity, suggesting Mca tris salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mca tris salt has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Mca tris salt is 100098-41-7.
The molecular formula of Mca tris salt is C18H31N5O10S2.
The molecular weight of Mca tris salt is 541.15125 g/mol.
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