CAS RN: 17114-97-5
O-tert-Butyl-L-serine Methyl Ester Hydrochloride
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.20251103 | 5g / 10g / 25g / 100g / 500g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-075393
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: 25g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
17114-97-5 / methyl (2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride
Basic Information
CAS
17114-97-5
Multi CAS
No
Molecular Formula
C8H18ClNO3
Molecular Weight
211.680000
Exact Mass
211.097521
SMILES
CC(C)(C)OC[C@@H](C(=O)OC)N.Cl
InChI
InChI=1S/C8H17NO3.ClH/c1-8(2,3)12-5-6(9)7(10)11-4;/h6H,5,9H2,1-4H3;1H/t6-;/m0./s1
InChIKey
PCIABNBULSRKSU-RGMNGODLSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.94
TPSA
61.55
LogP / Solubility
WLOGP
0.72
MLOGP
0.64
XLogP3
0.72
Consensus LogP
0.69
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-3.5
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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