CAS RN: 951160-35-3
methyl 4-amino-2,2-dimethylbutanoate hydrochloride
- Product code: SSC-210347
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
951160-35-3 / methyl 4-amino-2,2-dimethylbutanoate;hydrochloride
Basic Information
CAS
951160-35-3
Multi CAS
No
Molecular Formula
C7H16CLNO2
Molecular Weight
181.660000
Exact Mass
181.086956
InChI
InChI=1S/C7H15NO2.ClH/c1-7(2,4-5-8)6(9)10-3;/h4-5,8H2,1-3H3;1H
InChIKey
ZHDRNNOYKXKTCV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.72
TPSA
52.32
LogP / Solubility
WLOGP
0.96
MLOGP
0.84
XLogP3
0.96
Consensus LogP
0.92
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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