2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl-
TL;DR: 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl- (CAS 17874-34-9) is a chemical compound with molecular formula C15H18O2 and molecular weight 230.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-tert-butyl-4,6-dimethylchromen-2-one
Also Known As: 4,6-Dimethyl-8-tert-butylcoumarin, 8-tert-Butyl-4,6-dimethylcoumarin, 8-tert-Butyl-4,6-dimethyl-2-benzopyrone, 8-tert-butyl-4,6-dimethylchromen-2-one, 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl-
| Molecular Formula | C15H18O2 |
|---|---|
| Molecular Weight | 230.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.13068 |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 17874-34-9 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)C(C)(C)C)OC(=O)C=C2C |
| InChIKey | SIOLFBILQBRZOC-UHFFFAOYSA-N |
Product Overview
2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl- (CAS 17874-34-9), with molecular formula C15H18O2 and molecular weight 230.13 g/mol. IUPAC: 8-tert-butyl-4,6-dimethylchromen-2-one.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl-
Property Insights of 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl-
The XLogP value of 3.9 indicates that 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl- has 0 hydrogen bond donor(s) and 2 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 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl-?
The CAS number of 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl- is 17874-34-9.
What is the molecular formula of 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl-?
The molecular formula of 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl- is C15H18O2.
What is the molecular weight of 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl-?
The molecular weight of 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl- is 230.13 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl-?
You can request a quote for 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.