CAS RN: 26247-79-0

POLY-L-GLUTAMIC ACID SODIUM SALT

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  • Product code: starshine_CAS26247-79-0
  • Purity/Analytical Methods: >99.0%
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26247-79-0 / (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid

Standard CAS: 26247-79-0 Multi CAS: Yes

Basic Information

CAS
26247-79-0
Multi CAS
Yes
Molecular Formula
C15H23N3O10
Molecular Weight
405.360000
Exact Mass
405.138344
InChI
InChI=1S/C15H23N3O10/c16-7(1-4-10(19)20)13(25)17-8(2-5-11(21)22)14(26)18-9(15(27)28)3-6-12(23)24/h7-9H,1-6,16H2,(H,17,25)(H,18,26)(H,19,20)(H,21,22)(H,23,24)(H,27,28)/t7-,8-,9-/m0/s1
InChIKey
BUZMZDDKFCSKOT-CIUDSAMLSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.6
Rotatable bonds
14
H-bond acceptors
7
H-bond donors
7
Molar refractivity
90.08
TPSA
233.42

LogP / Solubility

WLOGP
-2.04
MLOGP
-1.77
XLogP3
-6.4
Consensus LogP
-3.4
Log S (ESOL)
-0.15
Class (ESOL)
Very soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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