TL;DR: 3-Carbethoxyamino-5-n-propylaminoacetyl-10,11-dihydro-5H-dibenz(b,f)azepine (CAS 134068-19-2) is a chemical compound with molecular formula C22H27N3O3 and molecular weight 381.20523 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-[11-[2-(propylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
Also Known As: 3-Carbethoxyamino-5-n-propylaminoacetyl-10,11-dihydro-5H-dibenz(b,f)azepine, Carbamic acid, (10,11-dihydro-5-((propylamino)acetyl)-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, Ethyl [5-(N-propylglycyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl]carbamate, ethyl N-[11-[2-(propylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate
| Molecular Formula | C22H27N3O3 |
| Molecular Weight | 381.20523 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.20523 Da |
| Heavy Atoms | 28 |
| Complexity | 527.0 |
| SMILES | CCCNCC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)OCC |
| InChIKey | RWFPNJXXZBCLHW-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 3-Carbethoxyamino-5-n-propylaminoacetyl-10,11-dihydro-5H-dibenz(b,f)azepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carbethoxyamino-5-n-propylaminoacetyl-10,11-dihydro-5H-dibenz(b,f)azepine. Following Lipinski's Rule of Five, 3-Carbethoxyamino-5-n-propylaminoacetyl-10,11-dihydro-5H-dibenz(b,f)azepine 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 3-Carbethoxyamino-5-n-propylaminoacetyl-10,11-dihydro-5H-dibenz(b,f)azepine is 134068-19-2.
The molecular formula of 3-Carbethoxyamino-5-n-propylaminoacetyl-10,11-dihydro-5H-dibenz(b,f)azepine is C22H27N3O3.
The molecular weight of 3-Carbethoxyamino-5-n-propylaminoacetyl-10,11-dihydro-5H-dibenz(b,f)azepine is 381.20523 g/mol.
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