CAS RN: 3005-62-7
BZ-HIS-OME
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.20251206 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS3005-62-7
- Purity/Analytical Methods: >99.0%
3005-62-7 / methyl 2-benzamido-3-(1H-imidazol-5-yl)propanoate
Basic Information
CAS
3005-62-7
Multi CAS
Yes
Molecular Formula
C14H15N3O3
Molecular Weight
273.290000
Exact Mass
273.111341
InChI
InChI=1S/C14H15N3O3/c1-20-14(19)12(7-11-8-15-9-16-11)17-13(18)10-5-3-2-4-6-10/h2-6,8-9,12H,7H2,1H3,(H,15,16)(H,17,18)
InChIKey
POUMRJPRROOAGQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
72
TPSA
84.08
LogP / Solubility
WLOGP
0.92
MLOGP
0.82
XLogP3
1.3
Consensus LogP
1.01
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately 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)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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