N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide
TL;DR: N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide (CAS 147567-55-3) is a chemical compound with molecular formula C18H19N3O and molecular weight 293.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(3,3-dimethyl-4H-isoquinolin-1-yl)benzohydrazide
Also Known As: N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide, BAS 00329340, N'-(3,3-dimethyl-4H-isoquinolin-1-yl)benzohydrazide, Benzoic acid N'-(3,3-dimethyl-3,4-dihydro-isoquinolin-1-yl)-hydrazide
| Molecular Formula | C18H19N3O |
|---|---|
| Molecular Weight | 293.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.1528 |
| Heavy Atoms | 22 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 147567-55-3 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=N1)NNC(=O)C3=CC=CC=C3)C |
| InChIKey | RJFBSXPIRBEEAX-UHFFFAOYSA-N |
Product Overview
N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide (CAS 147567-55-3), with molecular formula C18H19N3O and molecular weight 293.15 g/mol. IUPAC: N'-(3,3-dimethyl-4H-isoquinolin-1-yl)benzohydrazide.
Chemical Property Profile of N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide
Property Insights of N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide. With a topological polar surface area (TPSA) of 53.5 Ų, N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide 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 N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide?
The CAS number of N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide is 147567-55-3.
What is the molecular formula of N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide?
The molecular formula of N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide is C18H19N3O.
What is the molecular weight of N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide?
The molecular weight of N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide is 293.15 g/mol.
Where can I buy N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide?
You can request a quote for N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)benzohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.