![CAS 146398-02-9 Butanoic acid, 4-hydroxy-3-[[(phenylMethoxy)carbonyl]aMino]-,1,1-diMethylethyl ester, (3S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/146398-02-9.gif)
CAS RN: 146398-02-9
Butanoic acid, 4-hydroxy-3-[[(phenylMethoxy)carbonyl]aMino]-,1,1-diMethylethyl ester, (3S)-
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.20251201 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-057448
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 | Hong Kong | Inquiry |
146398-02-9 / tert-butyl (3S)-4-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
Basic Information
CAS
146398-02-9
Multi CAS
No
Molecular Formula
C16H23NO5
Molecular Weight
309.360000
Exact Mass
309.157623
SMILES
CC(C)(C)OC(=O)C[C@@H](CO)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C16H23NO5/c1-16(2,3)22-14(19)9-13(10-18)17-15(20)21-11-12-7-5-4-6-8-12/h4-8,13,18H,9-11H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKey
IVQADIBBXAAFHJ-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
81.1
TPSA
84.86
LogP / Solubility
WLOGP
2.01
MLOGP
1.78
XLogP3
1.6
Consensus LogP
1.8
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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