CAS RN: 4208-49-5
ALLYL 2-FUROATE
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS4208-49-5
- Purity/Analytical Methods: >99.0%
4208-49-5 / prop-2-enyl furan-2-carboxylate
Basic Information
CAS
4208-49-5
Multi CAS
Yes
Molecular Formula
C8H8O3
Molecular Weight
152.150000
Exact Mass
152.047344
InChI
InChI=1S/C8H8O3/c1-2-5-11-8(9)7-4-3-6-10-7/h2-4,6H,1,5H2
InChIKey
SJRQTHAMRUOPBJ-UHFFFAOYSA-N
Physical Properties
Boiling Point
206.00 to 209.00 °C. @ 760.00 mm Hg
Density
1.181 (23°)
Physical Description
Colourless or pale straw liquid which darkens when exposed to air and daylight: has a caramelic, fruity odour
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
39.19
TPSA
39.44
LogP / Solubility
WLOGP
1.62
MLOGP
1.42
XLogP3
1.6
Consensus LogP
1.55
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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1-(2-FURYL)BUTAN-1-ONE
- CAS RN: 4208-57-5
- Product Code: starshine_CAS4208-57-5
- Purity/Analytical method: >99.0%
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