CAS RN: 91037-48-8
L-N-TAU-METHYL-D3-HISTIDINE
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.20250428 | 5mg / 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS91037-48-8
- Purity/Analytical Methods: >99.0%
91037-48-8 / (2S)-2-amino-3-[1-(trideuteriomethyl)imidazol-4-yl]propanoic acid
Basic Information
CAS
91037-48-8
Multi CAS
No
Molecular Formula
C7H11N3O2
Molecular Weight
172.200000
Exact Mass
172.103957
InChI
InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/i1D3
InChIKey
BRMWTNUJHUMWMS-FYFSCIFKSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
42.52
TPSA
81.14
LogP / Solubility
WLOGP
-0.63
MLOGP
-0.55
XLogP3
-3.3
Consensus LogP
-1.49
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
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)
-4.2
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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