CAS RN: 942289-87-4
PI 828
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
- Product code: starshine_CAS942289-87-4
- Purity/Analytical Methods: >99.0%
942289-87-4 / 8-(4-aminophenyl)-2-morpholin-4-ylchromen-4-one
Basic Information
CAS
942289-87-4
Multi CAS
No
Molecular Formula
C19H18N2O3
Molecular Weight
322.400000
Exact Mass
322.131742
InChI
InChI=1S/C19H18N2O3/c20-14-6-4-13(5-7-14)15-2-1-3-16-17(22)12-18(24-19(15)16)21-8-10-23-11-9-21/h1-7,12H,8-11,20H2
InChIKey
WUKMIBOGGXMBAC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
95.36
TPSA
68.7
LogP / Solubility
WLOGP
2.88
MLOGP
2.55
XLogP3
2.4
Consensus LogP
2.61
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
-
-
（2s,4s）-benzyl-4-hydroxy-2-（hydroxymethyl）pyrrolidine..
- CAS RN: 942308-58-9
- Product Code: starshine_CAS942308-58-9
- Purity/Analytical method: >99.0%
-
trans-3,4-dimethoxypyrrolidine hydrochloride
- CAS RN: 942309-06-0
- Product Code: SSC-208865
-
-
3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile
- CAS RN: 942358-78-3
- Product Code: starshine_CAS942358-78-3
- Purity/Analytical method: >99.0%
![CAS 942358-78-3 3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridine-2-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/942358-78-3.gif)