CAS RN: 156719-41-4
S-METHYL-L-THIOCITRULLINE
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.20260319 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS156719-41-4
- Purity/Analytical Methods: >99.0%
156719-41-4 / (2S)-2-amino-5-[[amino(methylsulfanyl)methylidene]amino]pentanoic acid
Basic Information
CAS
156719-41-4
Multi CAS
No
Molecular Formula
C7H15N3O2S
Molecular Weight
205.280000
Exact Mass
205.088498
SMILES
CSC(=NCCC[C@@H](C(=O)O)N)N
InChI
InChI=1S/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/m0/s1
InChIKey
NGVMVBQRKZPFLB-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
54.85
TPSA
101.7
LogP / Solubility
WLOGP
-0.14
MLOGP
-0.13
XLogP3
-2.7
Consensus LogP
-0.99
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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