CAS RN: 1307188-77-7
L-Valine, glycyl-3-methyl-
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.20260630 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1307188-77-7
- Purity/Analytical Methods: >99.0%
1307188-77-7 / (2S)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid
Basic Information
CAS
1307188-77-7
Multi CAS
No
Molecular Formula
C8H16N2O3
Molecular Weight
188.220000
Exact Mass
188.116092
SMILES
CC(C)(C)[C@@H](C(=O)O)NC(=O)CN
InChI
InChI=1S/C8H16N2O3/c1-8(2,3)6(7(12)13)10-5(11)4-9/h6H,4,9H2,1-3H3,(H,10,11)(H,12,13)/t6-/m1/s1
InChIKey
YUZFRZHDCMUDKG-ZCFIWIBFSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
48.08
TPSA
92.42
LogP / Solubility
WLOGP
-0.44
MLOGP
-0.39
XLogP3
-2.3
Consensus LogP
-1.04
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.88
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)
-4.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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