CAS RN: 61012-31-5
Ferulamide
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: starshine_CAS61012-31-5
- Purity/Analytical Methods: >99.0%
61012-31-5 / 3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Basic Information
CAS
61012-31-5
Multi CAS
Yes
Molecular Formula
C10H11NO3
Molecular Weight
193.200000
Exact Mass
193.073893
InChI
InChI=1S/C10H11NO3/c1-14-9-6-7(2-4-8(9)12)3-5-10(11)13/h2-6,12H,1H3,(H2,11,13)/b5-3+
InChIKey
YYAJJKZSQWOLIP-HWKANZROSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.89
TPSA
72.55
LogP / Solubility
WLOGP
0.9
MLOGP
0.79
XLogP3
0.9
Consensus LogP
0.86
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-3.26
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
-
-
-
-
3-ThiophenecarboxaMide, 2-aMino-5-(4-fluorophenyl)-
- CAS RN: 61019-14-5
- Product Code: SSC-169755
-
1-(2,4-dichlorophenyl)cyclopentane-1-carbonitrile
- CAS RN: 61023-75-4
- Product Code: SSC-169758
-
1-(2,4-dichlorophenyl)cyclopentane-1-carboxylic acid
- CAS RN: 61023-76-5
- Product Code: SSC-169759
