CAS RN: 374795-01-4
S-ACETYLTHIOGLYCOLIC ACID NHS 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.20260516 | 50mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS374795-01-4
- Purity/Analytical Methods: >99.0%
374795-01-4 / 3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane
Basic Information
CAS
374795-01-4
Multi CAS
Yes
Molecular Formula
C10H19NO
Molecular Weight
169.260000
Exact Mass
169.146664
InChI
InChI=1S/C10H19NO/c1-9(2)7-10(8-12-9)3-5-11-6-4-10/h11H,3-8H2,1-2H3
InChIKey
PKTOPEWHIUEXGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.18
TPSA
21.26
LogP / Solubility
WLOGP
1.56
MLOGP
1.36
XLogP3
1
Consensus LogP
1.31
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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