CAS RN: 373614-12-1
Bis-N-succinimidyl Diglycolic Acid
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
- Product code: ICTD5512
- Purity/Analytical Methods: >95.0%(N)
373614-12-1 / (2,5-dioxopyrrolidin-1-yl) 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate
Basic Information
CAS
373614-12-1
Multi CAS
No
Molecular Formula
C12H12N2O9
Molecular Weight
328.230000
Exact Mass
328.054280
InChI
InChI=1S/C12H12N2O9/c15-7-1-2-8(16)13(7)22-11(19)5-21-6-12(20)23-14-9(17)3-4-10(14)18/h1-6H2
InChIKey
PTIALSJRKNBZIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
9
Molar refractivity
65.18
TPSA
136.59
LogP / Solubility
WLOGP
-1.78
MLOGP
-1.55
XLogP3
-1.9
Consensus LogP
-1.74
Log S (ESOL)
-0.36
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
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)
-5.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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