CAS RN: 206537-28-2
3-(N-BOC)AMINO-3-(2-NITRO-PHENYL)-PROPIONIC ACID
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.20251016 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-097313
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
206537-28-2 / 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-nitrophenyl)propanoic acid
Basic Information
CAS
206537-28-2
Multi CAS
No
Molecular Formula
C14H18N2O6
Molecular Weight
310.300000
Exact Mass
310.116486
SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-10(8-12(17)18)9-6-4-5-7-11(9)16(20)21/h4-7,10H,8H2,1-3H3,(H,15,19)(H,17,18)
InChIKey
SAVFDQXYVJSWEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
77.46
TPSA
118.77
LogP / Solubility
WLOGP
2.64
MLOGP
2.33
XLogP3
1.8
Consensus LogP
2.26
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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)
-2.74
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
3
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