CAS RN: 88530-32-9
H-CYS(ACM)-NH2 HCL
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.20251209 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS88530-32-9
- Purity/Analytical Methods: >99.0%
88530-32-9 / (2S)-3-(acetamidomethylsulfanyl)-2-aminopropanamide
Basic Information
CAS
88530-32-9
Multi CAS
Yes
Molecular Formula
C6H13N3O2S
Molecular Weight
191.250000
Exact Mass
191.072848
InChI
InChI=1S/C6H13N3O2S.ClH/c1-4(10)9-3-12-2-5(7)6(8)11;/h5H,2-3,7H2,1H3,(H2,8,11)(H,9,10);1H/t5-;/m0./s1
InChIKey
ZRBPBPZOUBWCMM-JEDNCBNOSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
48.31
TPSA
98.21
LogP / Solubility
WLOGP
-1.37
MLOGP
-1.21
XLogP3
-1.7
Consensus LogP
-1.43
Log S (ESOL)
0.17
Class (ESOL)
Highly soluble
Log S (Ali)
-0.14
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.36
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.86
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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