CAS RN: 331-38-4
L-Balenine
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.20250625 | 1mg / 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS331-38-4
- Purity/Analytical Methods: >99.0%
331-38-4 / 3-aminopropanoyl (2S)-2-amino-3-(1-methylimidazol-4-yl)propanoate
Basic Information
CAS
331-38-4
Multi CAS
Yes
Molecular Formula
C10H16N4O3
Molecular Weight
240.260000
Exact Mass
240.122240
InChI
InChI=1S/C10H16N4O3/c1-14-5-7(13-6-14)4-8(12)10(16)17-9(15)2-3-11/h5-6,8H,2-4,11-12H2,1H3/t8-/m0/s1
InChIKey
QAWKDPXGVJMDHM-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
59.66
TPSA
113.23
LogP / Solubility
WLOGP
-1.29
MLOGP
-1.13
XLogP3
-1.9
Consensus LogP
-1.44
Log S (ESOL)
-0.4
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
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)
-5.1
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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