3-(1,1-Dimethyl-2-propen-1-yl)-7-methoxy-2H-1-benzopyran-2-one
TL;DR: 3-(1,1-Dimethyl-2-propen-1-yl)-7-methoxy-2H-1-benzopyran-2-one (CAS 20958-63-8) is a chemical compound with molecular formula C15H16O3 and molecular weight 244.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
Also Known As: 3-(1,1-Dimethylallyl)herniarin, DIHYDROTANSHINONE, 3-(1,1-Dimethyl allyl) herniarin, 3-(1,1-Dimethylallyl)-7-methoxycoumarin, 7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one
| Molecular Formula | C15H16O3 |
|---|---|
| Molecular Weight | 244.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.10994 |
| Heavy Atoms | 18 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 20958-63-8 |
|---|---|
| SMILES | CC(C)(C=C)C1=CC2=C(C=C(C=C2)OC)OC1=O |
| InChIKey | BTXKAWICQLJRID-UHFFFAOYSA-N |
Product Overview
3-(1,1-Dimethyl-2-propen-1-yl)-7-methoxy-2H-1-benzopyran-2-one (CAS 20958-63-8), with molecular formula C15H16O3 and molecular weight 244.11 g/mol. IUPAC: 7-methoxy-3-(2-methylbut-3-en-2-yl)chromen-2-one.
Chemical Property Profile of 3-(1,1-Dimethyl-2-propen-1-yl)-7-methoxy-2H-1-benzopyran-2-one
Property Insights of 3-(1,1-Dimethyl-2-propen-1-yl)-7-methoxy-2H-1-benzopyran-2-one
The XLogP value of 3.8 indicates that 3-(1,1-Dimethyl-2-propen-1-yl)-7-methoxy-2H-1-benzopyran-2-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, 3-(1,1-Dimethyl-2-propen-1-yl)-7-methoxy-2H-1-benzopyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,1-Dimethyl-2-propen-1-yl)-7-methoxy-2H-1-benzopyran-2-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 3-(1,1-Dimethyl-2-propen-1-yl)-7-methoxy-2H-1-benzopyran-2-one?
The CAS number of 3-(1,1-Dimethyl-2-propen-1-yl)-7-methoxy-2H-1-benzopyran-2-one is 20958-63-8.
What is the molecular formula of 3-(1,1-Dimethyl-2-propen-1-yl)-7-methoxy-2H-1-benzopyran-2-one?
The molecular formula of 3-(1,1-Dimethyl-2-propen-1-yl)-7-methoxy-2H-1-benzopyran-2-one is C15H16O3.
What is the molecular weight of 3-(1,1-Dimethyl-2-propen-1-yl)-7-methoxy-2H-1-benzopyran-2-one?
The molecular weight of 3-(1,1-Dimethyl-2-propen-1-yl)-7-methoxy-2H-1-benzopyran-2-one is 244.11 g/mol.
Where can I buy 3-(1,1-Dimethyl-2-propen-1-yl)-7-methoxy-2H-1-benzopyran-2-one?
You can request a quote for 3-(1,1-Dimethyl-2-propen-1-yl)-7-methoxy-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,1-Dimethyl-2-propen-1-yl)-7-methoxy-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1-Dimethyl-2-propen-1-yl)-7-methoxy-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.