CAS RN: 103239-24-3

GLUTATHIONE DISODIUM SALT OXIDIZED FORM

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Batchno.20260205 100mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS103239-24-3
  • Purity/Analytical Methods: >99.0%
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103239-24-3 / disodium;(2S)-2-amino-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-amino-4-carboxylatobutanoyl]amino]-3-(carboxylatomethylamino)-3-oxopropyl]disulfanyl]-1-(carboxylatomethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoate;hydron

HMS3264L07 | Disodium 2,2'-(((2R,2'R)-3,3'-disulfanediylbis(2-((S)-4-amino-4-carboxybutanamido)propanoyl))bis(azanediyl))diacetate | disodium;2-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxylatomethylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]acetate

Standard CAS: 103239-24-3 Multi CAS: Yes

Basic Information

CAS
103239-24-3
Multi CAS
Yes
Molecular Formula
C20H30N6Na2O12S2
Molecular Weight
656.600000
Exact Mass
656.115851
SMILES
[H+].[H+].C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])N)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])N.[Na+].[Na+]
InChI
InChI=1S/C20H32N6O12S2.2Na/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38;;/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38);;/q;2*+1/p-2/t9-,10-,11-,12-;;/m0../s1
InChIKey
DRFILBXQKYDTFW-JIWRMXRASA-L
Synonyms
HMS3264L07 Disodium 2,2'-(((2R,2'R)-3,3'-disulfanediylbis(2-((S)-4-amino-4-carboxybutanamido)propanoyl))bis(azanediyl))diacetate disodium;2-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxylatomethylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]acetate

Computed Properties

Structural Parameters

Heavy atom count
42
Fraction Csp3
0.6
Rotatable bonds
21
H-bond acceptors
16
H-bond donors
6
Molar refractivity
131.47
TPSA
328.96

LogP / Solubility

WLOGP
-14.98
MLOGP
-13.13
XLogP3
-14.98
Consensus LogP
-14.36
Log S (ESOL)
6.91
Class (ESOL)
Highly soluble
Log S (Ali)
5.87
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.99
Class (SILICOS-IT)
Highly 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)
-17.36

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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