Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro-
TL;DR: Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro- (CAS 53462-75-2) is a chemical compound with molecular formula C10H8N2O and molecular weight 172.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-7-one
Also Known As: Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro-, 3,4-Dihydropyrrolo[4,3,2-de]isoquinolin-5(1H)-one, 3,4-Dihydropyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 5-24-03-00467 (Beilstein Handbook Reference), 1,3-Dihydropyrrolo[4,3,2-de]isoquinoline-5(4h)-one
| Molecular Formula | C10H8N2O |
|---|---|
| Molecular Weight | 172.06 g/mol |
| LogP | 1.4113 |
| Topological Polar Surface Area | 44.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.06366 |
| Heavy Atoms | 13 |
| Complexity | 498.5941 |
Chemical Identifiers
| CAS Number | 53462-75-2 |
|---|---|
| SMILES | C1C2=CNC3=CC=CC(=C23)C(=O)N1 |
Product Overview
Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro- (CAS 53462-75-2), with molecular formula C10H8N2O and molecular weight 172.06 g/mol. IUPAC: 2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-7-one.
Chemical Property Profile of Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro-
Property Insights of Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro-
The XLogP value of 1.4113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro-. With a topological polar surface area (TPSA) of 44.89 Ų, Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro- has 2 hydrogen bond donor(s) and 1 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(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro-?
The CAS number of Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro- is 53462-75-2.
What is the molecular formula of Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro-?
The molecular formula of Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro- is C10H8N2O.
What is the molecular weight of Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro-?
The molecular weight of Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro- is 172.06 g/mol.
Where can I buy Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro-?
You can request a quote for Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolo(4,3,2-de)isoquinolin-5(1H)-one, 3,4-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.