CAS RN: 14598-96-0
DL-Valine, 3-hydroxy-N-(phenylmethyl)-
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.20250128 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-057141
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 3 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 3 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 3 In Stock | Beijing | Inquiry |
14598-96-0 / 2-(benzylamino)-3-hydroxy-3-methylbutanoic acid
Basic Information
CAS
14598-96-0
Multi CAS
No
Molecular Formula
C12H17NO3
Molecular Weight
223.270000
Exact Mass
223.120843
SMILES
CC(C)(C(C(=O)O)NCC1=CC=CC=C1)O
InChI
InChI=1S/C12H17NO3/c1-12(2,16)10(11(14)15)13-8-9-6-4-3-5-7-9/h3-7,10,13,16H,8H2,1-2H3,(H,14,15)
InChIKey
RUSUZMYXBIGTLN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
61
TPSA
69.56
LogP / Solubility
WLOGP
1
MLOGP
0.88
XLogP3
-1.4
Consensus LogP
0.16
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately 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)
-3.37
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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