2H-1-Benzopyran-2-one, 4,7-dimethyl-6-hydroxy-3-propyl-
TL;DR: 2H-1-Benzopyran-2-one, 4,7-dimethyl-6-hydroxy-3-propyl- (CAS 111052-52-9) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-4,7-dimethyl-3-propylchromen-2-one
Also Known As: 2H-1-Benzopyran-2-one, 4,7-dimethyl-6-hydroxy-3-propyl-, 4-18-00-00436 (Beilstein Handbook Reference), 4,7-Dimethyl-6-hydroxy-3-propyl-2H-1-benzopyran-2-one, 6-hydroxy-4,7-dimethyl-3-propylchromen-2-one, 6-Hydroxy-4,7-dimethyl-3-propyl-2H-1-benzopyran-2-one
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 3.06794 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 623.38043 |
Chemical Identifiers
| CAS Number | 111052-52-9 |
|---|---|
| SMILES | CCCC1=C(C2=C(C=C(C(=C2)O)C)OC1=O)C |
Product Overview
2H-1-Benzopyran-2-one, 4,7-dimethyl-6-hydroxy-3-propyl- (CAS 111052-52-9), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: 6-hydroxy-4,7-dimethyl-3-propylchromen-2-one.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 4,7-dimethyl-6-hydroxy-3-propyl-
Property Insights of 2H-1-Benzopyran-2-one, 4,7-dimethyl-6-hydroxy-3-propyl-
The XLogP value of 3.06794 indicates that 2H-1-Benzopyran-2-one, 4,7-dimethyl-6-hydroxy-3-propyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, 2H-1-Benzopyran-2-one, 4,7-dimethyl-6-hydroxy-3-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 4,7-dimethyl-6-hydroxy-3-propyl- has 1 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 2H-1-Benzopyran-2-one, 4,7-dimethyl-6-hydroxy-3-propyl-?
The CAS number of 2H-1-Benzopyran-2-one, 4,7-dimethyl-6-hydroxy-3-propyl- is 111052-52-9.
What is the molecular formula of 2H-1-Benzopyran-2-one, 4,7-dimethyl-6-hydroxy-3-propyl-?
The molecular formula of 2H-1-Benzopyran-2-one, 4,7-dimethyl-6-hydroxy-3-propyl- is C14H16O3.
What is the molecular weight of 2H-1-Benzopyran-2-one, 4,7-dimethyl-6-hydroxy-3-propyl-?
The molecular weight of 2H-1-Benzopyran-2-one, 4,7-dimethyl-6-hydroxy-3-propyl- is 232.11 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 4,7-dimethyl-6-hydroxy-3-propyl-?
You can request a quote for 2H-1-Benzopyran-2-one, 4,7-dimethyl-6-hydroxy-3-propyl- 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, 4,7-dimethyl-6-hydroxy-3-propyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 4,7-dimethyl-6-hydroxy-3-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.