CAS RN: 3401-33-0
Boc-S-benzyl-L-cysteine N-hydroxysuccinimide ester
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.20250530 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS3401-33-0
- Purity/Analytical Methods: >99.0%
3401-33-0 / (2,5-dioxopyrrolidin-1-yl) 3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Basic Information
CAS
3401-33-0
Multi CAS
Yes
Molecular Formula
C19H24N2O6S
Molecular Weight
408.500000
Exact Mass
408.135508
InChI
InChI=1S/C19H24N2O6S/c1-19(2,3)26-18(25)20-14(12-28-11-13-7-5-4-6-8-13)17(24)27-21-15(22)9-10-16(21)23/h4-8,14H,9-12H2,1-3H3,(H,20,25)
InChIKey
TVSSLLYGMLXNIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
1
Molar refractivity
102.94
TPSA
102.01
LogP / Solubility
WLOGP
2.42
MLOGP
2.15
XLogP3
2.1
Consensus LogP
2.22
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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