![CAS 179087-83-3 L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-(phenylseleno)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/179087-83-3.gif)
CAS RN: 179087-83-3
L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-(phenylseleno)-
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.20250928 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-079793
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
179087-83-3 / (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylselanylpropanoic acid
Basic Information
CAS
179087-83-3
Multi CAS
No
Molecular Formula
C14H19NO4Se
Molecular Weight
344.280000
Exact Mass
345.047930
SMILES
CC(C)(C)OC(=O)N[C@@H](C[Se]C1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C14H19NO4Se/c1-14(2,3)19-13(18)15-11(12(16)17)9-20-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKey
AOKYATAOPLIOSK-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.43
TPSA
75.63
LogP / Solubility
WLOGP
1.41
MLOGP
1.26
XLogP3
1.41
Consensus LogP
1.36
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
Class (SILICOS-IT)
Poorly 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)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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