CAS RN: 308277-46-5
L-Valine, N-(3-methoxy-1,3-dioxopropyl)-, methyl ester
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.20250825 | 1mg / 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS308277-46-5
- Purity/Analytical Methods: >99.0%
308277-46-5 / methyl (2S)-2-[(3-methoxy-3-oxopropanoyl)amino]-3-methylbutanoate
Basic Information
CAS
308277-46-5
Multi CAS
No
Molecular Formula
C10H17NO5
Molecular Weight
231.250000
Exact Mass
231.110673
InChI
InChI=1S/C10H17NO5/c1-6(2)9(10(14)16-4)11-7(12)5-8(13)15-3/h6,9H,5H2,1-4H3,(H,11,12)/t9-/m0/s1
InChIKey
BWPKYDAJBOUZDX-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.7
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.42
TPSA
81.7
LogP / Solubility
WLOGP
-0.14
MLOGP
-0.12
XLogP3
0.8
Consensus LogP
0.18
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-4.23
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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