cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
TL;DR: cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone (CAS 883945-41-3) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclobutyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
Also Known As: Maybridge2_000804, MixCom4_000302, IDI1_002046, cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone, F5791-1199
| Molecular Formula | C16H21NO3 |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.15213 |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 883945-41-3 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)C3CCC3)OC |
| InChIKey | PWFVXQKPRBHUAI-UHFFFAOYSA-N |
Product Overview
cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone (CAS 883945-41-3), with molecular formula C16H21NO3 and molecular weight 275.15 g/mol. IUPAC: cyclobutyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
Chemical Property Profile of cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Property Insights of cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone. With a topological polar surface area (TPSA) of 38.8 Ų, cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone has 0 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 cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The CAS number of cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is 883945-41-3.
What is the molecular formula of cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The molecular formula of cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is C16H21NO3.
What is the molecular weight of cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The molecular weight of cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is 275.15 g/mol.
Where can I buy cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
You can request a quote for cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for cyclobutyl(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.