![CAS 11037-15-3 2-Isopropenyl-7H-furo[3,2-g][1]benzopyran-7-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/11037-15-3.gif)
CAS RN: 11037-15-3
2-Isopropenyl-7H-furo[3,2-g][1]benzopyran-7-one
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS11037-15-3
- Purity/Analytical Methods: >99.0%
11037-15-3 / 2-prop-1-en-2-ylfuro[3,2-g]chromen-7-one
7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-methylethenyl)- | 2-(1-Methylethenyl)-7H-furo(3,2-g)(1)benzopyran-7-one | 2-prop-1-en-2-ylfuro[3,2-g]chromen-7-one
Basic Information
CAS
11037-15-3
Multi CAS
No
Molecular Formula
C14H10O3
Molecular Weight
226.230000
Exact Mass
226.062994
SMILES
CC(=C)C1=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3
InChI
InChI=1S/C14H10O3/c1-8(2)11-6-10-5-9-3-4-14(15)17-12(9)7-13(10)16-11/h3-7H,1H2,2H3
InChIKey
ILVSRSSJBQSUJM-UHFFFAOYSA-N
Synonyms
7H-Furo(3,2-g)(1)benzopyran-7-one, 2-(1-methylethenyl)-
2-(1-Methylethenyl)-7H-furo(3,2-g)(1)benzopyran-7-one
2-prop-1-en-2-ylfuro[3,2-g]chromen-7-one
DTXSID00149226
2-prop-1-en-2-ylfuro(3,2-g)chromen-7-one
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
13
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
66.96
TPSA
43.35
LogP / Solubility
WLOGP
3.57
MLOGP
3.15
XLogP3
3.7
Consensus LogP
3.47
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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