CAS RN: 1084-76-0
N-(2,4-Dinitrophenyl)glycine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250825 | 100mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-009757
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1084-76-0 / 2-(2,4-dinitroanilino)acetic acid
N-(2,4-Dinitrophenyl)glycine | Dnp-glycine | N-Dnp-glycine
Basic Information
CAS
1084-76-0
Multi CAS
Yes
Molecular Formula
C8H7N3O6
Molecular Weight
241.160000
Exact Mass
241.033485
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCC(=O)O
InChI
InChI=1S/C8H7N3O6/c12-8(13)4-9-6-2-1-5(10(14)15)3-7(6)11(16)17/h1-3,9H,4H2,(H,12,13)
InChIKey
RQPREKYEHBAOAR-UHFFFAOYSA-N
Synonyms
N-(2,4-Dinitrophenyl)glycine
Dnp-glycine
N-Dnp-glycine
GLYCINE, N-(2,4-DINITROPHENYL)-
EINECS 214-114-5
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
55.88
TPSA
135.61
LogP / Solubility
WLOGP
1
MLOGP
0.88
XLogP3
1.8
Consensus LogP
1.23
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Flammable
Signal
Danger
GHS Hazard Statements
H228 (100%): Flammable solid [Danger Flammable solids]
Precautionary Statement Codes
P210, P240, P241, P280, and P370+P378
