TL;DR: RefChem:378238 (CAS 113597-47-0) is a chemical compound with molecular formula C16H17N3O2 and molecular weight 283.13208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2,4-dimethyl-3,10-dihydropyrrolo[3,2-i][1,5]benzodiazepine-9-carboxylate
Also Known As: Ethyl 2,4-dimethyl-3H-(1,4)diazepine(2,3-g)indole-9-carbonate, Pyrrolo(2,3-g)-1,5-benzodiazepine-9-carboxylic acid, 3,10-dihydro-2,4-dimethyl-, ethyl ester, Ethyl 2,4-dimethyl-3,10-dihydro[1,4]diazepino[2,3-g]indole-9-carboxylate, BRN 5576894
| Molecular Formula | C16H17N3O2 |
| Molecular Weight | 283.13208 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.13208 Da |
| Heavy Atoms | 21 |
| Complexity | 486.0 |
| SMILES | CCOC(=O)C1=CC2=C(N1)C3=C(C=C2)N=C(CC(=N3)C)C |
| InChIKey | NWCUUDNKMBOBNH-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:378238. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:378238. Following Lipinski's Rule of Five, RefChem:378238 has 1 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 RefChem:378238 is 113597-47-0.
The molecular formula of RefChem:378238 is C16H17N3O2.
The molecular weight of RefChem:378238 is 283.13208 g/mol.
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