CAS RN: 14401-10-6
Nε-(2,4-Dinitrophenyl)-L-lysine Hydrochloride
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.20250710 | 100mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: SSC-055275
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 |
14401-10-6 / (2S)-2-amino-6-(2,4-dinitroanilino)hexanoic acid;hydrochloride
Basic Information
CAS
14401-10-6
Multi CAS
No
Molecular Formula
C12H17ClN4O6
Molecular Weight
348.740000
Exact Mass
348.083662
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCC[C@@H](C(=O)O)N.Cl
InChI
InChI=1S/C12H16N4O6.ClH/c13-9(12(17)18)3-1-2-6-14-10-5-4-8(15(19)20)7-11(10)16(21)22;/h4-5,7,9,14H,1-3,6,13H2,(H,17,18);1H/t9-;/m0./s1
InChIKey
VDVXDUOPLKVMMM-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
3
Molar refractivity
84.95
TPSA
161.63
LogP / Solubility
WLOGP
1.92
MLOGP
1.71
XLogP3
1.92
Consensus LogP
1.85
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
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)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
