CAS RN: 6974-10-3
2-ETHOXYCARBONYL-METHYL-PHTHALIMIDE
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS6974-10-3
- Purity/Analytical Methods: >99.0%
6974-10-3 / ethyl 2-(1,3-dioxoisoindol-2-yl)acetate
Basic Information
CAS
6974-10-3
Multi CAS
Yes
Molecular Formula
C12H11NO4
Molecular Weight
233.220000
Exact Mass
233.068808
InChI
InChI=1S/C12H11NO4/c1-2-17-10(14)7-13-11(15)8-5-3-4-6-9(8)12(13)16/h3-6H,2,7H2,1H3
InChIKey
NYNCZOLNVTXTTP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
58.44
TPSA
63.68
LogP / Solubility
WLOGP
0.85
MLOGP
0.75
XLogP3
1.6
Consensus LogP
1.07
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-3.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
N-P-TOLYL-GUANIDINE HYDROCHLORIDE
- CAS RN: 6976-07-4
- Product Code: starshine_CAS6976-07-4
- Purity/Analytical method: >99.0%
-
1H-Pyrrole-1-carboxylicacid,2,5-dihydro-,ethylester(9CI)
- CAS RN: 6972-81-2
- Product Code: SSC-179460
-
6-Hydroxyquinoline-3-carboxylic acid ethyl ester
- CAS RN: 6972-86-7
- Product Code: SSC-179462
-
-
