1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one
TL;DR: 1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one (CAS 14596-91-9) is a chemical compound with molecular formula C18H18O3 and molecular weight 282.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-4,4-dimethyl-1-phenylisochromen-3-one
Also Known As: 1-methoxy-4,4-dimethyl-1-phenylisochromen-3-one, 1-Methoxy-4,4-dimethyl-1-phenyl-1,4-dihydro-3H-2-benzopyran-3-one
| Molecular Formula | C18H18O3 |
|---|---|
| Molecular Weight | 282.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.12558 |
| Heavy Atoms | 21 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 14596-91-9 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(OC1=O)(C3=CC=CC=C3)OC)C |
| InChIKey | DLGVXTXRUACOQS-UHFFFAOYSA-N |
Product Overview
1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one (CAS 14596-91-9), with molecular formula C18H18O3 and molecular weight 282.13 g/mol. IUPAC: 1-methoxy-4,4-dimethyl-1-phenylisochromen-3-one.
Chemical Property Profile of 1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one
Property Insights of 1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one
The XLogP value of 3.7 indicates that 1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one 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 1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one?
The CAS number of 1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one is 14596-91-9.
What is the molecular formula of 1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one?
The molecular formula of 1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one is C18H18O3.
What is the molecular weight of 1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one?
The molecular weight of 1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one is 282.13 g/mol.
Where can I buy 1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one?
You can request a quote for 1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxy-4,4-dimethyl-1-phenylisochromen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.