TL;DR: 3-(4-(N-Biotinoyl-6-aminocaproyloxy)phenyl)propionicAcid,N-HydroxysuccinimideEster (CAS 1322623-44-8) is a chemical compound with molecular formula C28H36N4O8S and molecular weight 588.2254 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl] 6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoate
Also Known As: 3-(4-(N-Biotinoyl-6-aminocaproyloxy)phenyl)propionicAcid,N-HydroxysuccinimideEster, [4-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]phenyl] 6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoate
| Molecular Formula | C28H36N4O8S |
| Molecular Weight | 588.2254 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 186.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 588.2254 Da |
| Heavy Atoms | 41 |
| Complexity | 970.0 |
| SMILES | C1CC(=O)N(C1=O)OC(=O)CC2=CC=C(C=C2)OC(=O)CCCCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4 |
| InChIKey | XOQZGRUKPCANAL-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-(N-Biotinoyl-6-aminocaproyloxy)phenyl)propionicAcid,N-HydroxysuccinimideEster. The TPSA of 186.0 Ų indicates high polarity, suggesting 3-(4-(N-Biotinoyl-6-aminocaproyloxy)phenyl)propionicAcid,N-HydroxysuccinimideEster may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(4-(N-Biotinoyl-6-aminocaproyloxy)phenyl)propionicAcid,N-HydroxysuccinimideEster has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(4-(N-Biotinoyl-6-aminocaproyloxy)phenyl)propionicAcid,N-HydroxysuccinimideEster is 1322623-44-8.
The molecular formula of 3-(4-(N-Biotinoyl-6-aminocaproyloxy)phenyl)propionicAcid,N-HydroxysuccinimideEster is C28H36N4O8S.
The molecular weight of 3-(4-(N-Biotinoyl-6-aminocaproyloxy)phenyl)propionicAcid,N-HydroxysuccinimideEster is 588.2254 g/mol.
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