2H-1-Benzopyran-2-one, 7-butoxy-
TL;DR: 2H-1-Benzopyran-2-one, 7-butoxy- (CAS 71783-00-1) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butoxychromen-2-one
Also Known As: 7-BUTOXYCOUMARIN, 7-butoxy-2H-chromen-2-one, 7-butoxychromen-2-one, 2H-1-Benzopyran-2-one, 7-butoxy-, 7-Butoxy-2H-1-benzopyran-2-one
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 71783-00-1 |
|---|---|
| SMILES | CCCCOC1=CC2=C(C=C1)C=CC(=O)O2 |
| InChIKey | BDOGTORASJEUBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-1-Benzopyran-2-one, 7-butoxy- (CAS 71783-00-1), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 7-butoxychromen-2-one.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 7-butoxy-
Property Insights of 2H-1-Benzopyran-2-one, 7-butoxy-
The XLogP value of 3.2 indicates that 2H-1-Benzopyran-2-one, 7-butoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2H-1-Benzopyran-2-one, 7-butoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 7-butoxy- 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 2H-1-Benzopyran-2-one, 7-butoxy-?
The CAS number of 2H-1-Benzopyran-2-one, 7-butoxy- is 71783-00-1.
What is the molecular formula of 2H-1-Benzopyran-2-one, 7-butoxy-?
The molecular formula of 2H-1-Benzopyran-2-one, 7-butoxy- is C13H14O3.
What is the molecular weight of 2H-1-Benzopyran-2-one, 7-butoxy-?
The molecular weight of 2H-1-Benzopyran-2-one, 7-butoxy- is 218.09 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 7-butoxy-?
You can request a quote for 2H-1-Benzopyran-2-one, 7-butoxy- 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, 7-butoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 7-butoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.