3,5-Dimethyl-8-methoxy-3,4-dihydroisocoumarin
TL;DR: 3,5-Dimethyl-8-methoxy-3,4-dihydroisocoumarin (CAS 24350-99-0) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-3,5-dimethyl-3,4-dihydroisochromen-1-one
Also Known As: 3,5-dimethyl-8-methoxy-3,4-dihydroisocoumarin, J1.875.190I, 3-5-dimethyl-8-methoxy-3,4-dihydroisocoumarin, methyl 1-(cyanomethyl)-1H-pyrrole-2-carboxylate, 8-Methoxy-3,5-dimethyl-3,4-dihydro-1H-isochromen-1-one
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 24350-99-0 |
|---|---|
| SMILES | CC1CC2=C(C=CC(=C2C(=O)O1)OC)C |
| InChIKey | PUHAIJJCXSKQQD-UHFFFAOYSA-N |
Product Overview
3,5-Dimethyl-8-methoxy-3,4-dihydroisocoumarin (CAS 24350-99-0), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 8-methoxy-3,5-dimethyl-3,4-dihydroisochromen-1-one.
Chemical Property Profile of 3,5-Dimethyl-8-methoxy-3,4-dihydroisocoumarin
Property Insights of 3,5-Dimethyl-8-methoxy-3,4-dihydroisocoumarin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-8-methoxy-3,4-dihydroisocoumarin. With a topological polar surface area (TPSA) of 35.5 Ų, 3,5-Dimethyl-8-methoxy-3,4-dihydroisocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-8-methoxy-3,4-dihydroisocoumarin 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 3,5-Dimethyl-8-methoxy-3,4-dihydroisocoumarin?
The CAS number of 3,5-Dimethyl-8-methoxy-3,4-dihydroisocoumarin is 24350-99-0.
What is the molecular formula of 3,5-Dimethyl-8-methoxy-3,4-dihydroisocoumarin?
The molecular formula of 3,5-Dimethyl-8-methoxy-3,4-dihydroisocoumarin is C12H14O3.
What is the molecular weight of 3,5-Dimethyl-8-methoxy-3,4-dihydroisocoumarin?
The molecular weight of 3,5-Dimethyl-8-methoxy-3,4-dihydroisocoumarin is 206.09 g/mol.
Where can I buy 3,5-Dimethyl-8-methoxy-3,4-dihydroisocoumarin?
You can request a quote for 3,5-Dimethyl-8-methoxy-3,4-dihydroisocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-8-methoxy-3,4-dihydroisocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-8-methoxy-3,4-dihydroisocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.