2H-1-Benzopyran-2-one, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)-
TL;DR: 2H-1-Benzopyran-2-one, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)- (CAS 100218-05-1) is a chemical compound with molecular formula C16H16O6 and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-hydroxy-7-(3-methylbut-2-enoxy)-2-oxochromen-5-yl] acetate
Also Known As: 2H-1-Benzopyran-2-one, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)-, [6-hydroxy-7-(3-methylbut-2-enoxy)-2-oxo-chromen-5-yl] Acetate, [6-hydroxy-7-(3-methylbut-2-enoxy)-2-oxochromen-5-yl] acetate, 6-Hydroxy-7-[(3-methylbut-2-en-1-yl)oxy]-2-oxo-2H-1-benzopyran-5-yl acetate
| Molecular Formula | C16H16O6 |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.0947 |
| Heavy Atoms | 22 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 100218-05-1 |
|---|---|
| SMILES | CC(=CCOC1=C(C(=C2C=CC(=O)OC2=C1)OC(=O)C)O)C |
| InChIKey | KSAPPBGTADFDFC-UHFFFAOYSA-N |
Product Overview
2H-1-Benzopyran-2-one, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)- (CAS 100218-05-1), with molecular formula C16H16O6 and molecular weight 304.09 g/mol. IUPAC: [6-hydroxy-7-(3-methylbut-2-enoxy)-2-oxochromen-5-yl] acetate.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)-
Property Insights of 2H-1-Benzopyran-2-one, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-2-one, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)-. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-2-one, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)- 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
Frequently Asked Questions
What is the CAS number of 2H-1-Benzopyran-2-one, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)-?
The CAS number of 2H-1-Benzopyran-2-one, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)- is 100218-05-1.
What is the molecular formula of 2H-1-Benzopyran-2-one, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)-?
The molecular formula of 2H-1-Benzopyran-2-one, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)- is C16H16O6.
What is the molecular weight of 2H-1-Benzopyran-2-one, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)-?
The molecular weight of 2H-1-Benzopyran-2-one, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)- is 304.09 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)-?
You can request a quote for 2H-1-Benzopyran-2-one, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)- 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, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 5-(acetyloxy)-6-hydroxy-7-((3-methyl-2-butenyl)oxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.