TL;DR: 2,7-Bis(alloxycarbonylamino)-9-(biotinylaminoethylamino)acridine (CAS 1219125-65-1) is a chemical compound with molecular formula C33H39N7O6S and molecular weight 661.26825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-enyl N-[9-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethylamino]-6-(prop-2-enoxycarbonylamino)acridin-3-yl]carbamate
Also Known As: 2,7-Bis(alloxycarbonylamino)-9-(biotinylaminoethylamino)acridine, prop-2-enyl N-[9-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethylamino]-6-(prop-2-enoxycarbonylamino)acridin-3-yl]carbamate, prop-2-enyl N-[9-[2-[5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethylamino]-6-(prop-2-enoxycarbonylamino)acridin-3-yl]carbamate
| Molecular Formula | C33H39N7O6S |
| Molecular Weight | 661.26825 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 197.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 661.26825 Da |
| Heavy Atoms | 47 |
| Complexity | 1080.0 |
| SMILES | C=CCOC(=O)NC1=CC2=C(C=C1)C(=C3C=CC(=CC3=N2)NC(=O)OCC=C)NCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5 |
| InChIKey | RNBKZAUVHZDVGB-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 2,7-Bis(alloxycarbonylamino)-9-(biotinylaminoethylamino)acridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting 2,7-Bis(alloxycarbonylamino)-9-(biotinylaminoethylamino)acridine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,7-Bis(alloxycarbonylamino)-9-(biotinylaminoethylamino)acridine has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,7-Bis(alloxycarbonylamino)-9-(biotinylaminoethylamino)acridine is 1219125-65-1.
The molecular formula of 2,7-Bis(alloxycarbonylamino)-9-(biotinylaminoethylamino)acridine is C33H39N7O6S.
The molecular weight of 2,7-Bis(alloxycarbonylamino)-9-(biotinylaminoethylamino)acridine is 661.26825 g/mol.
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