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CAS 175453-08-4 (S)-N-FMOC-4-Chlorophenylalanine molecular structure lightbox
CAS RN: 175453-08-4

(S)-N-FMOC-4-Chlorophenylalanine

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260309 1g In stock Inquiry
Batchno.20250704 25g In stock Inquiry
Batchno.20251210 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251215 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-076992
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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: 100g, 10g, 25g, 5g
  • Available purity: >98%
  • Inventory rows with stock: 4
  • 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 175453-08-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >98% 5 In Stock Beijing Inquiry
10g >98% 4 In Stock Hong Kong Inquiry
25g >98% 4 In Stock Shanghai Inquiry
5g >98% 3 In Stock Shanghai Inquiry

175453-08-4 / (2S)-3-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Standard CAS: 175453-08-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175453-08-4
Multi CAS
No
Molecular Formula
C24H20ClNO4
Molecular Weight
421.900000
Exact Mass
421.108086
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)Cl)C(=O)O
InChI
InChI=1S/C24H20ClNO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
InChIKey
CQPNKLNINBUUOM-QFIPXVFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
114.78
TPSA
75.63

LogP / Solubility

WLOGP
4.87
MLOGP
4.32
XLogP3
5.3
Consensus LogP
4.83
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
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)
-1.83

Drug-likeness / Medicinal Chemistry

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

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