CAS RN: 120033-58-1
N-tert-Butyloxycarbonyl Glutathione DiMethyl Diester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260501 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-020835
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
120033-58-1 / methyl (2S)-5-[[(2R)-1-[(2-methoxy-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
MFCD28898477 | SCHEMBL14160379 | C17H29N3O8S
Basic Information
CAS
120033-58-1
Multi CAS
Yes
Molecular Formula
C17H29N3O8S
Molecular Weight
435.500000
Exact Mass
435.167536
SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OC)C(=O)OC
InChI
InChI=1S/C17H29N3O8S/c1-17(2,3)28-16(25)20-10(15(24)27-5)6-7-12(21)19-11(9-29)14(23)18-8-13(22)26-4/h10-11,29H,6-9H2,1-5H3,(H,18,23)(H,19,21)(H,20,25)/t10-,11-/m0/s1
InChIKey
KUJDHYOKKOEQDI-QWRGUYRKSA-N
Synonyms
MFCD28898477
SCHEMBL14160379
C17H29N3O8S
methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-{[(1R)-1-[(2-methoxy-2-oxoethyl)carbamoyl]-2-sulfanylethyl]carbamoyl}butanoate
methyl 2-(tert-butoxycarbonylamino)-5-[[2-[(2-methoxy-2-oxo-ethyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoate
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.71
Rotatable bonds
10
H-bond acceptors
9
H-bond donors
4
Molar refractivity
105.22
TPSA
149.13
LogP / Solubility
WLOGP
-0.46
MLOGP
-0.38
XLogP3
0.1
Consensus LogP
-0.25
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly 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)
-5.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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