4-Allyloxycoumarin
TL;DR: 4-Allyloxycoumarin (CAS 31005-07-9) 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.
4-prop-2-enoxychromen-2-one
Also Known As: 4-ALLYLOXYCOUMARIN, Setarin, 4-Allyloxy-cumarin, 4-prop-2-enoxychromen-2-one, 4-(Allyloxy)coumarin
| Molecular Formula | C12H10O3 |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 2.3578 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.06299 |
| Heavy Atoms | 15 |
| Complexity | 539.8037 |
Chemical Identifiers
| CAS Number | 31005-07-9 |
|---|---|
| SMILES | C=CCOC1=CC(=O)OC2=CC=CC=C21 |
Product Overview
4-Allyloxycoumarin (CAS 31005-07-9), with molecular formula C12H10O3 and molecular weight 202.06 g/mol. IUPAC: 4-prop-2-enoxychromen-2-one.
Chemical Property Profile of 4-Allyloxycoumarin
Property Insights of 4-Allyloxycoumarin
The XLogP value of 2.3578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Allyloxycoumarin. With a topological polar surface area (TPSA) of 39.44 Ų, 4-Allyloxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-Allyloxycoumarin?
The CAS number of 4-Allyloxycoumarin is 31005-07-9.
What is the molecular formula of 4-Allyloxycoumarin?
The molecular formula of 4-Allyloxycoumarin is C12H10O3.
What is the molecular weight of 4-Allyloxycoumarin?
The molecular weight of 4-Allyloxycoumarin is 202.06 g/mol.
Where can I buy 4-Allyloxycoumarin?
You can request a quote for 4-Allyloxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Allyloxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-Allyloxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.