RefChem:228901
TL;DR: RefChem:228901 (CAS 70070-05-2) is a chemical compound with molecular formula C23H28FNO4 and molecular weight 401.20023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[1-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)ethylamino]-1-(4-fluorophenyl)butan-1-one
Also Known As: 1-(N-Methyl-N-(p-fluorobenzoylpropyl))aminomethyl-6,7-dimethoxyisochroman, 1-Butanone, 4-(((3,4-dihydro-6,7-dimethoxy-1H-2-benzopyran-1-yl)methyl)methylamino)-1-(4-fluorophenyl)-, 4-[1-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)ethylamino]-1-(4-fluorophenyl)butan-1-one, 4-{[1-(6,7-Dimethoxy-3,4-dihydro-1H-2-benzopyran-1-yl)ethyl]amino}-1-(4-fluorophenyl)butan-1-one, BRN 1403811
Technical Specifications
| Molecular Formula | C23H28FNO4 |
| Molecular Weight | 401.20023 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 401.20023 Da |
| Heavy Atoms | 29 |
| Complexity | 511.0 |
| SMILES | CC(C1C2=CC(=C(C=C2CCO1)OC)OC)NCCCC(=O)C3=CC=C(C=C3)F |
| InChIKey | ZAASVWIUIKIHOG-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:228901
Property Insights of RefChem:228901
The XLogP value of 3.4 indicates that RefChem:228901 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, RefChem:228901 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:228901 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:228901?
The CAS number of RefChem:228901 is 70070-05-2.
What is the molecular formula of RefChem:228901?
The molecular formula of RefChem:228901 is C23H28FNO4.
What is the molecular weight of RefChem:228901?
The molecular weight of RefChem:228901 is 401.20023 g/mol.
Where can I buy RefChem:228901?
You can request a quote for RefChem:228901 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:228901?
Yes, CoreyChem provides custom synthesis services for RefChem:228901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.