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CAS 17360-11-1 3,5-DINITRO-L-TYROSINE MONOHYDRATE molecular structure lightbox
CAS RN: 17360-11-1

3,5-DINITRO-L-TYROSINE MONOHYDRATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250327 200mg / 1g / 10g / 50g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-076237
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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: ＞97%
  • 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 17360-11-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

17360-11-1 / (2S)-2-amino-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid

Standard CAS: 17360-11-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17360-11-1
Multi CAS
No
Molecular Formula
C9H9N3O7
Molecular Weight
271.180000
Exact Mass
271.044050
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])C[C@@H](C(=O)O)N
InChI
InChI=1S/C9H9N3O7/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19/h2-3,5,13H,1,10H2,(H,14,15)/t5-/m0/s1
InChIKey
SAZOSDSFLRXREA-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
3
Molar refractivity
60.73
TPSA
169.83

LogP / Solubility

WLOGP
0.16
MLOGP
0.15
XLogP3
-1.6
Consensus LogP
-0.43
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
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)
-4.26

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P354+P338, P317, and P501

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