CAS RN: 851511-53-0
Serine, 1,1-diMethylethyl ester, hydrochloride
- Product code: SSC-193320
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
851511-53-0 / tert-butyl 2-amino-3-hydroxypropanoate;hydrochloride
Basic Information
CAS
851511-53-0
Multi CAS
No
Molecular Formula
C7H16CLNO3
Molecular Weight
197.660000
Exact Mass
197.081871
InChI
InChI=1S/C7H15NO3.ClH/c1-7(2,3)11-6(10)5(8)4-9;/h5,9H,4,8H2,1-3H3;1H
InChIKey
TUDHOGYHZNNYHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.15
TPSA
72.55
LogP / Solubility
WLOGP
0.07
MLOGP
0.06
XLogP3
0.07
Consensus LogP
0.07
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-3.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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