CAS RN: 92786-68-0
H-ASP(OTBU)-NH2 HCL
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.20260523 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS92786-68-0
- Purity/Analytical Methods: >99.0%
92786-68-0 / tert-butyl (3S)-3,4-diamino-4-oxobutanoate;hydrochloride
Basic Information
CAS
92786-68-0
Multi CAS
Yes
Molecular Formula
C8H17CLN2O3
Molecular Weight
224.680000
Exact Mass
224.092770
InChI
InChI=1S/C8H16N2O3.ClH/c1-8(2,3)13-6(11)4-5(9)7(10)12;/h5H,4,9H2,1-3H3,(H2,10,12);1H/t5-;/m0./s1
InChIKey
MGCQDVMGXZJHTN-JEDNCBNOSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.88
TPSA
95.41
LogP / Solubility
WLOGP
-0.05
MLOGP
-0.04
XLogP3
-0.05
Consensus LogP
-0.05
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
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)
-4.12
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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