1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman
TL;DR: 1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman (CAS 70070-07-4) is a chemical compound with molecular formula C17H25NO4 and molecular weight 307.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl-methylamino]butan-2-one
Also Known As: 1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman, 4-(((3,4-Dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)methylamino)-2-butanone, 2-Butanone, 4-(((3,4-dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)methylamino)-, 4-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl-methylamino]butan-2-one, 4-{[(6,7-Dimethoxy-3,4-dihydro-1H-2-benzopyran-1-yl)methyl](methyl)amino}butan-2-one
| Molecular Formula | C17H25NO4 |
|---|---|
| Molecular Weight | 307.18 g/mol |
| LogP | 2.2285 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.17834 |
| Heavy Atoms | 22 |
| Complexity | 529.6354 |
Chemical Identifiers
| CAS Number | 70070-07-4 |
|---|---|
| SMILES | CC(=O)CCN(C)CC1C2=CC(=C(C=C2CCO1)OC)OC |
Product Overview
1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman (CAS 70070-07-4), with molecular formula C17H25NO4 and molecular weight 307.18 g/mol. IUPAC: 4-[(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl-methylamino]butan-2-one.
Chemical Property Profile of 1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman
Property Insights of 1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman
The XLogP value of 2.2285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman. With a topological polar surface area (TPSA) of 48.0 Ų, 1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman has 0 hydrogen bond donor(s) and 5 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 1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman?
The CAS number of 1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman is 70070-07-4.
What is the molecular formula of 1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman?
The molecular formula of 1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman is C17H25NO4.
What is the molecular weight of 1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman?
The molecular weight of 1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman is 307.18 g/mol.
Where can I buy 1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman?
You can request a quote for 1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman?
Yes, KEHONG BIO provides custom synthesis services for 1-(N-Methyl-N-(3-oxo-1-butyl))aminomethyl-6,7-dimethoxyisochroman and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.