CAS RN: 36097-48-0
AC-HIS-OME
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250823 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Guangdong | Inquiry |
- Product code: starshine_CAS36097-48-0
- Purity/Analytical Methods: >99.0%
36097-48-0 / methyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate
Basic Information
CAS
36097-48-0
Multi CAS
Yes
Molecular Formula
C9H13N3O3
Molecular Weight
211.220000
Exact Mass
211.095691
InChI
InChI=1S/C9H13N3O3/c1-6(13)12-8(9(14)15-2)3-7-4-10-5-11-7/h4-5,8H,3H2,1-2H3,(H,10,11)(H,12,13)/t8-/m0/s1
InChIKey
FWHBBEZPJALIIF-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.91
TPSA
84.08
LogP / Solubility
WLOGP
-0.37
MLOGP
-0.32
XLogP3
-0.4
Consensus LogP
-0.36
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
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)
-4.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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