CAS RN: 756765-00-1
Cyclobutaneacetic acid, alpha-amino-1-mercapto- (9CI)
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.20260309 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS756765-00-1
- Purity/Analytical Methods: >99.0%
756765-00-1 / 2-amino-2-(1-sulfanylcyclobutyl)acetic acid
Basic Information
CAS
756765-00-1
Multi CAS
No
Molecular Formula
C6H11NO2S
Molecular Weight
161.220000
Exact Mass
161.051050
InChI
InChI=1S/C6H11NO2S/c7-4(5(8)9)6(10)2-1-3-6/h4,10H,1-3,7H2,(H,8,9)
InChIKey
HTTDGGJUGDWIPV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
41.18
TPSA
63.32
LogP / Solubility
WLOGP
0.25
MLOGP
0.22
XLogP3
-2.3
Consensus LogP
-0.61
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
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)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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