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CAS 109425-51-6 Nα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-τ-(triphenylmethyl)-L-histidine molecular structure lightbox
CAS RN: 109425-51-6

Nα-[(9H-Fluoren-9-ylmethoxy)carbonyl]-τ-(triphenylmethyl)-L-histidine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250531 5g / 25g / 100g / 500g / 1kg Confirm by inquiry Shandong, Shanghai, Guangdong, Hebei Inquiry
  • Product code: SSC-010733
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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: 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 109425-51-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Hong Kong Inquiry
25g >97% 5 In Stock Shanghai Inquiry
100g >97% 5 In Stock Beijing Inquiry
500g >97% 5 In Stock Shanghai Inquiry
1000g >97% 5 In Stock Beijing Inquiry

109425-51-6 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-tritylimidazol-4-yl)propanoic acid

N-Fmoc-N'-trityl-L-histidine | Y688TZ526P | N-((9H-Fluoren-9-ylmethoxy)carbonyl)-1-(triphenylmethyl)-L-histidine

Standard CAS: 109425-51-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
109425-51-6
Multi CAS
Yes
Molecular Formula
C40H33N3O4
Molecular Weight
619.700000
Exact Mass
619.247107
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C[C@@H](C(=O)O)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChI
InChI=1S/C40H33N3O4/c44-38(45)37(42-39(46)47-26-36-34-22-12-10-20-32(34)33-21-11-13-23-35(33)36)24-31-25-43(27-41-31)40(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-23,25,27,36-37H,24,26H2,(H,42,46)(H,44,45)/t37-/m0/s1
InChIKey
XXMYDXUIZKNHDT-QNGWXLTQSA-N
Synonyms
N-Fmoc-N'-trityl-L-histidine Y688TZ526P N-((9H-Fluoren-9-ylmethoxy)carbonyl)-1-(triphenylmethyl)-L-histidine N-[(9H-fluoren-9-ylmethoxy)carbonyl]-1-(triphenylmethyl)-L-Histidine RefChem:1090712

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
35
Fraction Csp3
0.12
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
180.17
TPSA
93.45

LogP / Solubility

WLOGP
7.26
MLOGP
6.44
XLogP3
7.5
Consensus LogP
7.07
Log S (ESOL)
-8.15
Class (ESOL)
Insoluble
Log S (Ali)
-9.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.91
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.35

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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