CAS RN: 5963-60-0
H-GLU(ANILIDE)-OH
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.20251019 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5963-60-0
- Purity/Analytical Methods: >99.0%
5963-60-0 / 2-amino-5-anilino-5-oxopentanoic acid
Basic Information
CAS
5963-60-0
Multi CAS
Yes
Molecular Formula
C11H14N2O3
Molecular Weight
222.240000
Exact Mass
222.100442
InChI
InChI=1S/C11H14N2O3/c12-9(11(15)16)6-7-10(14)13-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)(H,15,16)/t9-/m0/s1
InChIKey
VMNRUJGOLBSEPK-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
59.92
TPSA
92.42
LogP / Solubility
WLOGP
0.82
MLOGP
0.72
XLogP3
-2.1
Consensus LogP
-0.19
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.38
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)
-3.5
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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- CAS RN: 5965-38-8
- Product Code: starshine_CAS5965-38-8
- Purity/Analytical method: >99.0%
