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CAS 10420-63-0 N-(2,4-Dinitrophenyl)-L-alanine Methyl Ester molecular structure lightbox
CAS RN: 10420-63-0

N-(2,4-Dinitrophenyl)-L-alanine Methyl Ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250605 200mg In stock Shanghai Inquiry
  • Product code: SSC-005964
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 10420-63-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

10420-63-0 / methyl (2S)-2-(2,4-dinitroanilino)propanoate

methyl N-(2,4-dinitrophenyl)alaninate | methyl 2-[(2,4-dinitrophenyl)amino]propanoate | Methyl 2-(2,4-dinitroanilino)propanoate

Standard CAS: 10420-63-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10420-63-0
Multi CAS
Yes
Molecular Formula
C10H11N3O6
Molecular Weight
269.210000
Exact Mass
269.064785
SMILES
C[C@@H](C(=O)OC)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H11N3O6/c1-6(10(14)19-2)11-8-4-3-7(12(15)16)5-9(8)13(17)18/h3-6,11H,1-2H3/t6-/m0/s1
InChIKey
RXDDNUKGTCKLDT-LURJTMIESA-N
Synonyms
methyl N-(2,4-dinitrophenyl)alaninate methyl 2-[(2,4-dinitrophenyl)amino]propanoate Methyl 2-(2,4-dinitroanilino)propanoate alanine, N-(2,4-dinitrophenyl)-, methyl ester SCHEMBL5945876

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
64.85
TPSA
124.61

LogP / Solubility

WLOGP
1.48
MLOGP
1.31
XLogP3
2.5
Consensus LogP
1.76
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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