Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl-
TL;DR: Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl- (CAS 57517-34-7) is a chemical compound with molecular formula C16H17N3O and molecular weight 267.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-6-methyl-5-phenyl-3,7-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-2-one
Also Known As: 2.4.6-Tri-tert.-pentyl-phenol, 3,7-Dihydro-8-ethyl-6-methyl-5-phenylpyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl-, 8-Ethyl-3,7-dihydro-6-methyl-5-phenylpyrrolo[3,4-e]-1,4-diazepin-2(1H)-one, 8-ethyl-6-methyl-5-phenyl-3,7-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-2-one
| Molecular Formula | C16H17N3O |
|---|---|
| Molecular Weight | 267.14 g/mol |
| LogP | 2.67502 |
| Topological Polar Surface Area | 57.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.13718 |
| Heavy Atoms | 20 |
| Complexity | 683.2476 |
Chemical Identifiers
| CAS Number | 57517-34-7 |
|---|---|
| SMILES | CCC1=C2C(=C(N1)C)C(=NCC(=O)N2)C3=CC=CC=C3 |
Product Overview
Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl- (CAS 57517-34-7), with molecular formula C16H17N3O and molecular weight 267.14 g/mol. IUPAC: 8-ethyl-6-methyl-5-phenyl-3,7-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-2-one.
Chemical Property Profile of Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl-
Property Insights of Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl-
The XLogP value of 2.67502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl-. With a topological polar surface area (TPSA) of 57.25 Ų, Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl- has 2 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 Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl-?
The CAS number of Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl- is 57517-34-7.
What is the molecular formula of Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl-?
The molecular formula of Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl- is C16H17N3O.
What is the molecular weight of Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl-?
The molecular weight of Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl- is 267.14 g/mol.
Where can I buy Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl-?
You can request a quote for Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-8-ethyl-6-methyl-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.