![5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one structure](/static/products/5743/57435-90-2.webp)
5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one
TL;DR: 5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one (CAS 57435-90-2) is a chemical compound with molecular formula C14H12FN3O and molecular weight 257.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-fluorophenyl)-6-methyl-3,7-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-2-one
Also Known As: 5-acetyl-8-hydroxyquinoline hydrochloride, 5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one, 3,7-Dihydro-5-(2-fluorophenyl)-6-methylpyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 5-(2-fluorophenyl)-6-methyl-3,7-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-2-one, Pyrrolo(3,4-e)(1,4)diazepin-2(1H)-one, 3,7-dihydro-5-(2-fluorophenyl)-6-methyl-
| Molecular Formula | C14H12FN3O |
|---|---|
| Molecular Weight | 257.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 57.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.09644 |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 57435-90-2 |
|---|---|
| SMILES | CC1=C2C(=CN1)NC(=O)CN=C2C3=CC=CC=C3F |
| InChIKey | YJLHTNHNYKJEJX-UHFFFAOYSA-N |
Product Overview
5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one (CAS 57435-90-2), with molecular formula C14H12FN3O and molecular weight 257.10 g/mol. IUPAC: 5-(2-fluorophenyl)-6-methyl-3,7-dihydro-1H-pyrrolo[3,4-e][1,4]diazepin-2-one.
Chemical Property Profile of 5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one
Property Insights of 5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one. With a topological polar surface area (TPSA) of 57.3 Ų, 5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[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, 5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one has 2 hydrogen bond donor(s) and 3 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 5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one?
The CAS number of 5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one is 57435-90-2.
What is the molecular formula of 5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one?
The molecular formula of 5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one is C14H12FN3O.
What is the molecular weight of 5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one?
The molecular weight of 5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one is 257.10 g/mol.
Where can I buy 5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one?
You can request a quote for 5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[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 5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Fluorophenyl)-6-methyl-3,7-dihydropyrrolo[3,4-e][1,4]diazepin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.