7-Allyloxycoumarin
TL;DR: 7-Allyloxycoumarin (CAS 31005-03-5) is a chemical compound with molecular formula C12H10O3 and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-prop-2-enoxychromen-2-one
Also Known As: 7-ALLYLOXYCOUMARIN, 7-prop-2-enoxychromen-2-one, 7-(Allyloxy)coumarin, 7-allyloxychromen-2-one, 7-(Allyloxy)-2H-chromen-2-one
| Molecular Formula | C12H10O3 |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.06299 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 31005-03-5 |
|---|---|
| SMILES | C=CCOC1=CC2=C(C=C1)C=CC(=O)O2 |
| InChIKey | KWNHWLBNDYLDEC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Allyloxycoumarin (CAS 31005-03-5), with molecular formula C12H10O3 and molecular weight 202.06 g/mol. IUPAC: 7-prop-2-enoxychromen-2-one.
Chemical Property Profile of 7-Allyloxycoumarin
Property Insights of 7-Allyloxycoumarin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Allyloxycoumarin. With a topological polar surface area (TPSA) of 35.5 Ų, 7-Allyloxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Allyloxycoumarin 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 7-Allyloxycoumarin?
The CAS number of 7-Allyloxycoumarin is 31005-03-5.
What is the molecular formula of 7-Allyloxycoumarin?
The molecular formula of 7-Allyloxycoumarin is C12H10O3.
What is the molecular weight of 7-Allyloxycoumarin?
The molecular weight of 7-Allyloxycoumarin is 202.06 g/mol.
Where can I buy 7-Allyloxycoumarin?
You can request a quote for 7-Allyloxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Allyloxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-Allyloxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.