CAS RN: 2885-79-2
N-Propionyl-L-cysteine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250609 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2885-79-2
- Purity/Analytical Methods: >99.0%
2885-79-2 / (2R)-2-(propanoylamino)-3-sulfanylpropanoic acid
Basic Information
CAS
2885-79-2
Multi CAS
Yes
Molecular Formula
C6H11NO3S
Molecular Weight
177.220000
Exact Mass
177.045964
InChI
InChI=1S/C6H11NO3S/c1-2-5(8)7-4(3-11)6(9)10/h4,11H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKey
KBBJNRLWAGIQLW-BYPYZUCNSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
43.71
TPSA
66.4
LogP / Solubility
WLOGP
-0.1
MLOGP
-0.09
XLogP3
-0.1
Consensus LogP
-0.1
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.21
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)
-3.88
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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