TL;DR: BMS-354825 tert-Butoxycarbamate Analog 5d (CAS 302958-02-7) is a chemical compound with molecular formula C18H22BrN3O3S and molecular weight 439.05652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[5-[(4-bromo-2,6-dimethylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate
Also Known As: BMS-354825 tert-Butoxycarbamate Analog 5d, [5-[[(4-bromo-2,6-dimethylphenyl)amino]-carbonyl]-4-methyl-2-thiazolyl]carbamic acid 1,1-dimethylethyl ester, 2-[[(tert-butyloxy)carbonyl]-amino]-4-methyl-N-(4-bromo-2,6-dimethylphenyl)-1,3-thiazole-5-carboxamide, Tert-butyl N-[5-[(4-bromo-2,6-dimethyl-phenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate, tert-butyl N-{5-[(4-bromo-2,6-dimethylphenyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl}carbamate
| Molecular Formula | C18H22BrN3O3S |
| Molecular Weight | 439.05652 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.05652 Da |
| Heavy Atoms | 26 |
| Complexity | 516.0 |
| SMILES | CC1=CC(=CC(=C1NC(=O)C2=C(N=C(S2)NC(=O)OC(C)(C)C)C)C)Br |
| InChIKey | DATBTZXMDPSUJS-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that BMS-354825 tert-Butoxycarbamate Analog 5d is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BMS-354825 tert-Butoxycarbamate Analog 5d. Following Lipinski's Rule of Five, BMS-354825 tert-Butoxycarbamate Analog 5d has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BMS-354825 tert-Butoxycarbamate Analog 5d is 302958-02-7.
The molecular formula of BMS-354825 tert-Butoxycarbamate Analog 5d is C18H22BrN3O3S.
The molecular weight of BMS-354825 tert-Butoxycarbamate Analog 5d is 439.05652 g/mol.
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