CAS RN: 344299-50-9
DL-HISTIDINE-ALPHA,BETA,BETA-D3
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.20260613 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS344299-50-9
- Purity/Analytical Methods: >99.0%
344299-50-9 / 2-amino-2,3,3-trideuterio-3-(1H-imidazol-5-yl)propanoic acid
Basic Information
CAS
344299-50-9
Multi CAS
No
Molecular Formula
C6H9N3O2
Molecular Weight
158.170000
Exact Mass
158.088307
InChI
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/i1D2,5D
InChIKey
HNDVDQJCIGZPNO-WSWICNJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
37.9
TPSA
92
LogP / Solubility
WLOGP
-0.64
MLOGP
-0.56
XLogP3
-3.2
Consensus LogP
-1.47
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.37
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
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)
-4.12
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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