TL;DR: CALCIUMCARBIDE (CAS 125663-37-8) is a chemical compound with molecular formula C39H57BrN2O10 and molecular weight 792.31964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 2-[2-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-bromophenoxy]ethoxy]-4-methyl-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]anilino]acetate
Also Known As: CALCIUMCARBIDE, 2,3,5,6-Tetrafluoro-4-sulfobenzoic acid, tert-butyl 2-[2-[2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-bromophenoxy]ethoxy]-4-methyl-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]anilino]acetate, Di-tert-butyl 2,2'-((2-(2-(2-(bis(2-(tert-butoxy)-2-oxoethyl)amino)-5-bromophenoxy)ethoxy)-4-methylphenyl)azanediyl)diacetate, DI-TERT-BUTYL 2,2'-[[2-[2-[2-[BIS[2-(TERT-BUTOXY)-2-OXOETHYL]AMINO]-5-BROMOPHENOXY]ETHOXY]-4-METHYLPHENYL]AZANEDIYL]DIACETATE
| Molecular Formula | C39H57BrN2O10 |
| Molecular Weight | 792.31964 g/mol |
| XLogP | 8.5 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 23 |
| Exact Mass | 792.31964 Da |
| Heavy Atoms | 52 |
| Complexity | 1110.0 |
| SMILES | CC1=CC(=C(C=C1)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)OCCOC2=C(C=CC(=C2)Br)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C |
| InChIKey | CLZWAWBPWVRRGI-UHFFFAOYSA-N |
The XLogP value of 8.5 indicates that CALCIUMCARBIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CALCIUMCARBIDE. Following Lipinski's Rule of Five, CALCIUMCARBIDE has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CALCIUMCARBIDE is 125663-37-8.
The molecular formula of CALCIUMCARBIDE is C39H57BrN2O10.
The molecular weight of CALCIUMCARBIDE is 792.31964 g/mol.
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