CAS RN: 620-71-3
PROPIONANILIDE
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: starshine_CAS620-71-3
- Purity/Analytical Methods: >99.0%
620-71-3 / N-phenylpropanamide
Basic Information
CAS
620-71-3
Multi CAS
Yes
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
InChI
InChI=1S/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
InChIKey
ZTHRQJQJODGZHV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.36
TPSA
29.1
LogP / Solubility
WLOGP
2.04
MLOGP
1.78
XLogP3
1.6
Consensus LogP
1.81
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
DTPD OEKANAL (N N’-DITOLYLPARAPHENYLENE
- CAS RN: 620-91-7
- Product Code: starshine_CAS620-91-7
- Purity/Analytical method: >99.0%
-
1,3-di-p-tolylurea
- CAS RN: 621-00-1
- Product Code: starshine_CAS621-00-1
- Purity/Analytical method: >99.0%
