5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene
TL;DR: 5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene (CAS 94244-83-4) is a chemical compound with molecular formula C16H22O3 and molecular weight 262.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-2,2-dimethyl-7-(2-methylpropoxy)chromene
Also Known As: 7-Isobutoxy-5-methoxy-2,2-dimethyl-2H-chromene, 5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene, 5-methoxy-2,2-dimethyl-7-(2-methylpropoxy)chromene, 5-methoxy-2,2-dimethyl-7-(2-methylpropoxy)-2H-chromene, 2H-1-Benzopyran, 5-methoxy-2,2-dimethyl-7-(2-methylpropoxy)-
| Molecular Formula | C16H22O3 |
|---|---|
| Molecular Weight | 262.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.1569 |
| Heavy Atoms | 19 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 94244-83-4 |
|---|---|
| SMILES | CC(C)COC1=CC2=C(C=CC(O2)(C)C)C(=C1)OC |
| InChIKey | QGCMNXPIZGRUAX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene (CAS 94244-83-4), with molecular formula C16H22O3 and molecular weight 262.16 g/mol. IUPAC: 5-methoxy-2,2-dimethyl-7-(2-methylpropoxy)chromene.
Chemical Property Profile of 5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene
Property Insights of 5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene
The XLogP value of 4.1 indicates that 5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene 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 5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene?
The CAS number of 5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene is 94244-83-4.
What is the molecular formula of 5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene?
The molecular formula of 5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene is C16H22O3.
What is the molecular weight of 5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene?
The molecular weight of 5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene is 262.16 g/mol.
Where can I buy 5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene?
You can request a quote for 5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene?
Yes, KEHONG BIO provides custom synthesis services for 5-methoxy-7-isobutoxy-2,2-dimethyl-2H-chromene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.