CAS RN: 848777-30-0
(S)-2-cyclohexyl-2-(pyrazine-2-carboxaMido)acetic acid
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.20250223 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS848777-30-0
- Purity/Analytical Methods: >99.0%
848777-30-0 / 2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetic acid
Basic Information
CAS
848777-30-0
Multi CAS
Yes
Molecular Formula
C13H17N3O3
Molecular Weight
263.290000
Exact Mass
263.126991
InChI
InChI=1S/C13H17N3O3/c17-12(10-8-14-6-7-15-10)16-11(13(18)19)9-4-2-1-3-5-9/h6-9,11H,1-5H2,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKey
GEJCLNODLCIGDU-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
67.5
TPSA
92.18
LogP / Solubility
WLOGP
1.24
MLOGP
1.1
XLogP3
1.4
Consensus LogP
1.25
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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