TL;DR: Diaminoethane deriv. (CAS 136817-09-9) is a chemical compound with molecular formula C21H27N5O and molecular weight 365.22156 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-methyl-N-[2-[methyl-[3-(propan-2-ylamino)-2-pyridinyl]amino]ethyl]-1H-indole-2-carboxamide
Also Known As: Diaminoethane deriv., 1H-Indole-2-carboxamide, N-methyl-N-(2-(methyl(3-((1-methylethyl)amino)-2-pyridinyl)amino)ethyl)-, N,N'-Dimethyl-N-(2-indolcarbonyl)-N'-((3-isopropylamino)-2-pyridinyl)-1,2-diaminoethane, N,N'-Dimethyl-N-(2-indolcarbonyl)-N'-[(3-isopropylamino)-2-pyridinyl]-1,2-diaminoethane, N-[2-[[3-(isopropylamino)-2-pyridyl]-methyl-amino]ethyl]-N-methyl-1H-indole-2-carboxamide
| Molecular Formula | C21H27N5O |
| Molecular Weight | 365.22156 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.22156 Da |
| Heavy Atoms | 27 |
| Complexity | 485.0 |
| SMILES | CC(C)NC1=C(N=CC=C1)N(C)CCN(C)C(=O)C2=CC3=CC=CC=C3N2 |
| InChIKey | BWUOQPQLJPNGFD-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that Diaminoethane deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Diaminoethane deriv.. Following Lipinski's Rule of Five, Diaminoethane deriv. has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Diaminoethane deriv. is 136817-09-9.
The molecular formula of Diaminoethane deriv. is C21H27N5O.
The molecular weight of Diaminoethane deriv. is 365.22156 g/mol.
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