CAS RN: 62069-75-4
Di(N-succinimidyl) L-Tartrate
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: ICTD5500
62069-75-4 / bis(2,5-dioxopyrrolidin-1-yl) (2R,3R)-2,3-dihydroxybutanedioate
Basic Information
CAS
62069-75-4
Multi CAS
Yes
Molecular Formula
C12H12N2O10
Molecular Weight
344.230000
Exact Mass
344.049195
InChI
InChI=1S/C12H12N2O10/c15-5-1-2-6(16)13(5)23-11(21)9(19)10(20)12(22)24-14-7(17)3-4-8(14)18/h9-10,19-20H,1-4H2/t9-,10-/m1/s1
InChIKey
NXVYSVARUKNFNF-NXEZZACHSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
2
Molar refractivity
66.37
TPSA
167.82
LogP / Solubility
WLOGP
-3.08
MLOGP
-2.69
XLogP3
-3
Consensus LogP
-2.92
Log S (ESOL)
0.29
Class (ESOL)
Highly soluble
Log S (Ali)
-0.16
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.06
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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