CAS RN: 1998701-25-9
(R)-Benzyl 2-amino-3-(tert-butoxy)propanoate 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.20250910 | 250mg / 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-094097
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 | Shanghai | Inquiry |
1998701-25-9 / benzyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoate;hydrochloride
Basic Information
CAS
1998701-25-9
Multi CAS
No
Molecular Formula
C14H22ClNO3
Molecular Weight
287.780000
Exact Mass
287.128821
SMILES
CC(C)(C)OC[C@H](C(=O)OCC1=CC=CC=C1)N.Cl
InChI
InChI=1S/C14H21NO3.ClH/c1-14(2,3)18-10-12(15)13(16)17-9-11-7-5-4-6-8-11;/h4-8,12H,9-10,15H2,1-3H3;1H/t12-;/m1./s1
InChIKey
HOYYQVAARUYRFU-UTONKHPSSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.17
TPSA
61.55
LogP / Solubility
WLOGP
2.29
MLOGP
2.03
XLogP3
2.29
Consensus LogP
2.2
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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