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CAS 136590-09-5 FMOC-3-NITRO-L-TYROSINE molecular structure lightbox
CAS RN: 136590-09-5

FMOC-3-NITRO-L-TYROSINE

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260413 1g In stock Inquiry
Batchno.20260616 25g In stock Inquiry
Batchno.20260603 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250826 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-045615
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 25g, 5g, 10g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 136590-09-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 3 In Stock Shanghai Inquiry
25g ≥97% 2 In Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry

136590-09-5 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxy-3-nitrophenyl)propanoic acid

Standard CAS: 136590-09-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136590-09-5
Multi CAS
No
Molecular Formula
C24H20N2O7
Molecular Weight
448.400000
Exact Mass
448.127051
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=C(C=C4)O)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C24H20N2O7/c27-22-10-9-14(12-21(22)26(31)32)11-20(23(28)29)25-24(30)33-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,12,19-20,27H,11,13H2,(H,25,30)(H,28,29)/t20-/m0/s1
InChIKey
JZUZJVFERQWLNC-FQEVSTJZSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
118.09
TPSA
139

LogP / Solubility

WLOGP
3.83
MLOGP
3.4
XLogP3
4.7
Consensus LogP
3.98
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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