CAS RN: 99247-33-3
PROGLUMIDE, SODIUM SALT
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS99247-33-3
- Purity/Analytical Methods: >99.0%
99247-33-3 / sodium 4-benzamido-5-(dipropylamino)-5-oxopentanoate
Basic Information
CAS
99247-33-3
Multi CAS
Yes
Molecular Formula
C18H25N2NAO4
Molecular Weight
356.400000
Exact Mass
356.171202
InChI
InChI=1S/C18H26N2O4.Na/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14;/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22);/q;+1/p-1
InChIKey
UFMWGCINVOIJSO-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
89.1
TPSA
89.54
LogP / Solubility
WLOGP
-2.03
MLOGP
-1.77
XLogP3
-2.03
Consensus LogP
-1.94
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-6.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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