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CAS 114360-54-2 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-leucine molecular structure lightbox
CAS RN: 114360-54-2

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-D-leucine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250815 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-014187
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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
  • Available purity: >98%
  • 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 114360-54-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 5 In Stock Beijing Inquiry
10g >98% 4 In Stock Beijing Inquiry
25g >98% 0 Out of Stock Shenzhen Inquiry
100g >98% 0 Out of Stock Beijing Inquiry
500g >98% 0 Out of Stock Shanghai Inquiry

114360-54-2 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid

DTXSID00860520 | N-(((9H-Fluoren-9-yl)methoxy)carbonyl)leucine | N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}leucine

Standard CAS: 114360-54-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
114360-54-2
Multi CAS
Yes
Molecular Formula
C21H23NO4
Molecular Weight
353.400000
Exact Mass
353.162708
SMILES
CC(C)C[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m1/s1
InChIKey
CBPJQFCAFFNICX-LJQANCHMSA-N
Synonyms
DTXSID00860520 N-(((9H-Fluoren-9-yl)methoxy)carbonyl)leucine N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}leucine RefChem:1090638 DTXCID60209678

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
99.08
TPSA
75.63

LogP / Solubility

WLOGP
4.02
MLOGP
3.56
XLogP3
4.4
Consensus LogP
3.99
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): 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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