CAS RN: 3561-48-6
Z-GLY-MET-OH
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.20250314 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS3561-48-6
- Purity/Analytical Methods: >99.0%
3561-48-6 / (2S)-4-methylsulfanyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoic acid
Basic Information
CAS
3561-48-6
Multi CAS
Yes
Molecular Formula
C15H20N2O5S
Molecular Weight
340.400000
Exact Mass
340.109293
InChI
InChI=1S/C15H20N2O5S/c1-23-8-7-12(14(19)20)17-13(18)9-16-15(21)22-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,21)(H,17,18)(H,19,20)/t12-/m0/s1
InChIKey
JXQGLWUIDPXMHD-LBPRGKRZSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
3
Molar refractivity
87.2
TPSA
104.73
LogP / Solubility
WLOGP
1.24
MLOGP
1.1
XLogP3
1.4
Consensus LogP
1.25
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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