CAS RN: 34035-05-7
5-(p-Tolyl)furan-2-carbaldehyde
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: LINT913613
34035-05-7 / 5-(4-methylphenyl)furan-2-carbaldehyde
Basic Information
CAS
34035-05-7
Multi CAS
No
Molecular Formula
C12H10O2
Molecular Weight
186.210000
Exact Mass
186.068080
InChI
InChI=1S/C12H10O2/c1-9-2-4-10(5-3-9)12-7-6-11(8-13)14-12/h2-8H,1H3
InChIKey
RNXBPIBAPRFYIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.27
TPSA
30.21
LogP / Solubility
WLOGP
3.07
MLOGP
2.7
XLogP3
2.3
Consensus LogP
2.69
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
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
Customers Also Viewed
-
-
5-(piperidin-1-yl)pyrazin-2-aMine, 97%(HPLC)
- CAS RN: 1314354-59-0
- Product Code: LINM927181
-
-
-
-
