CAS RN: 20274-89-9
Glycyl-glycyl-L-valine
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260318 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS20274-89-9
- Purity/Analytical Methods: >99.0%
20274-89-9 / (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbutanoic acid
Basic Information
CAS
20274-89-9
Multi CAS
No
Molecular Formula
C9H17N3O4
Molecular Weight
231.250000
Exact Mass
231.121906
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)CNC(=O)CN
InChI
InChI=1S/C9H17N3O4/c1-5(2)8(9(15)16)12-7(14)4-11-6(13)3-10/h5,8H,3-4,10H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)/t8-/m0/s1
InChIKey
OLPPXYMMIARYAL-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
56.47
TPSA
121.52
LogP / Solubility
WLOGP
-1.71
MLOGP
-1.5
XLogP3
-3.9
Consensus LogP
-2.37
Log S (ESOL)
0.2
Class (ESOL)
Highly soluble
Log S (Ali)
-0.22
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
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)
-5.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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