TL;DR: Butyramide, N,N'-(dithiodiethylene)bis(4-amino-, dihydrobromide (CAS 104071-88-7) is a chemical compound with molecular formula C12H28Br2N4O2S2 and molecular weight 482.00204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[2-[2-(4-azaniumylbutanoylamino)ethyldisulfanyl]ethylamino]-4-oxobutyl]azanium dibromide
Also Known As: N,N'-(Dithiodiethylene)bis(4-aminobutyramide) dihydrobromide, BUTYRAMIDE, N,N'-(DITHIODIETHYLENE)BIS(4-AMINO-, DIHYDROBROMIDE, butanamide, n,n'-(dithiodi-2,1-ethanediyl)bis[4-amino-, hydrobromide(1:2), [4-[2-[2-(4-azaniumylbutanoylamino)ethyldisulfanyl]ethylamino]-4-oxobutyl]azanium dibromide
| Molecular Formula | C12H28Br2N4O2S2 |
| Molecular Weight | 482.00204 g/mol |
| XLogP | -7.35 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 484.0 Da |
| Heavy Atoms | 22 |
| Complexity | 242.0 |
| SMILES | C(CC(=O)NCCSSCCNC(=O)CCC[NH3+])C[NH3+].[Br-].[Br-] |
| InChIKey | YIWNCWAXLKUMFU-UHFFFAOYSA-N |
The XLogP value of -7.35 indicates that Butyramide, N,N'-(dithiodiethylene)bis(4-amino-, dihydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 164.0 Ų indicates high polarity, suggesting Butyramide, N,N'-(dithiodiethylene)bis(4-amino-, dihydrobromide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butyramide, N,N'-(dithiodiethylene)bis(4-amino-, dihydrobromide has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Butyramide, N,N'-(dithiodiethylene)bis(4-amino-, dihydrobromide is 104071-88-7.
The molecular formula of Butyramide, N,N'-(dithiodiethylene)bis(4-amino-, dihydrobromide is C12H28Br2N4O2S2.
The molecular weight of Butyramide, N,N'-(dithiodiethylene)bis(4-amino-, dihydrobromide is 482.00204 g/mol.
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