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CAS 117322-30-2 1-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclopentanecarboxylic Acid molecular structure lightbox
CAS RN: 117322-30-2

1-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclopentanecarboxylic Acid

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251016 1g In stock Inquiry
Batchno.20260623 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260502 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-017185
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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: 5g, 10g, 25g, 100g
  • 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 117322-30-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

117322-30-2 / 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid

Fmoc-cycloleucine | DTXSID50359656 | RefChem:1085475

Standard CAS: 117322-30-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117322-30-2
Multi CAS
Yes
Molecular Formula
C21H21NO4
Molecular Weight
351.400000
Exact Mass
351.147058
SMILES
C1CCC(C1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO4/c23-19(24)21(11-5-6-12-21)22-20(25)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18H,5-6,11-13H2,(H,22,25)(H,23,24)
InChIKey
IECZEINPZOFWNU-UHFFFAOYSA-N
Synonyms
Fmoc-cycloleucine DTXSID50359656 RefChem:1085475 DTXCID70310709 1-(Fmoc-amino)cyclopentanecarboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
97.04
TPSA
75.63

LogP / Solubility

WLOGP
3.92
MLOGP
3.47
XLogP3
3.7
Consensus LogP
3.7
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
Class (SILICOS-IT)
Slightly soluble

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)
-2.08

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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