8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one
TL;DR: 8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one (CAS 57435-88-8) is a chemical compound with molecular formula C17H19N3O and molecular weight 281.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-6,7-dimethyl-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-2-one
Also Known As: Premazepamum [INN-Latin], Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-6,7-dimethyl-8-ethyl-5-phenyl-, 3,7-Dihydro-6,7-dimethyl-8-ethyl-5-phenylpyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 8-Ethyl-6,7-dimethyl-5-phenyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one, 8-ethyl-6,7-dimethyl-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-2-one
| Molecular Formula | C17H19N3O |
|---|---|
| Molecular Weight | 281.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.1528 |
| Heavy Atoms | 21 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 57435-88-8 |
|---|---|
| SMILES | CCC1=C2C(=C(N1C)C)C(=NCC(=O)N2)C3=CC=CC=C3 |
| InChIKey | QUIPVRAMGQYMNN-UHFFFAOYSA-N |
Product Overview
8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one (CAS 57435-88-8), with molecular formula C17H19N3O and molecular weight 281.15 g/mol. IUPAC: 8-ethyl-6,7-dimethyl-5-phenyl-1,3-dihydropyrrolo[3,4-e][1,4]diazepin-2-one.
Chemical Property Profile of 8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one
Property Insights of 8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one. With a topological polar surface area (TPSA) of 46.4 Ų, 8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one?
The CAS number of 8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one is 57435-88-8.
What is the molecular formula of 8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one?
The molecular formula of 8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one is C17H19N3O.
What is the molecular weight of 8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one?
The molecular weight of 8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one is 281.15 g/mol.
Where can I buy 8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one?
You can request a quote for 8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8-Ethyl-3,7-dihydro-6,7-dimethyl-5-phenylpyrrolo(3,4-E)-1,4-diazepin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.