2H-1-Benzopyran-2-one, 7-(1-methylethoxy)-
TL;DR: 2H-1-Benzopyran-2-one, 7-(1-methylethoxy)- (CAS 87980-63-0) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-propan-2-yloxychromen-2-one
Also Known As: 7-isopropoxy-coumarin, 7-isopropoxy-2H-chromen-2-one, 7-ISOPROPOXYCOUMARIN, 7-propan-2-yloxychromen-2-one, 7-Isopropoxy-chromen-2-one
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 87980-63-0 |
|---|---|
| SMILES | CC(C)OC1=CC2=C(C=C1)C=CC(=O)O2 |
| InChIKey | XQYLBTNCDDGLDJ-UHFFFAOYSA-N |
Product Overview
2H-1-Benzopyran-2-one, 7-(1-methylethoxy)- (CAS 87980-63-0), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 7-propan-2-yloxychromen-2-one.
Chemical Property Profile of 2H-1-Benzopyran-2-one, 7-(1-methylethoxy)-
Property Insights of 2H-1-Benzopyran-2-one, 7-(1-methylethoxy)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-2-one, 7-(1-methylethoxy)-. With a topological polar surface area (TPSA) of 35.5 Ų, 2H-1-Benzopyran-2-one, 7-(1-methylethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 7-(1-methylethoxy)- 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-(1-methylethoxy)-?
The CAS number of 2H-1-Benzopyran-2-one, 7-(1-methylethoxy)- is 87980-63-0.
What is the molecular formula of 2H-1-Benzopyran-2-one, 7-(1-methylethoxy)-?
The molecular formula of 2H-1-Benzopyran-2-one, 7-(1-methylethoxy)- is C12H12O3.
What is the molecular weight of 2H-1-Benzopyran-2-one, 7-(1-methylethoxy)-?
The molecular weight of 2H-1-Benzopyran-2-one, 7-(1-methylethoxy)- is 204.08 g/mol.
Where can I buy 2H-1-Benzopyran-2-one, 7-(1-methylethoxy)-?
You can request a quote for 2H-1-Benzopyran-2-one, 7-(1-methylethoxy)- 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-(1-methylethoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-2-one, 7-(1-methylethoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.