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CAS 167690-53-1 trans-4-[[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]methyl]cyclohexanecarboxylic Acid molecular structure lightbox
CAS RN: 167690-53-1

trans-4-[[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]methyl]cyclohexanecarboxylic Acid

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250911 200mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260411 1g Out of stock 1 business days Inquiry
Batchno.20251108 5g In stock Shanghai Inquiry
  • Product code: SSC-073141
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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: 8
  • 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 167690-53-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 5 In Stock Beijing Inquiry
10g -- 5 In Stock Hong Kong Inquiry
10g >98% 5 In Stock Shanghai Inquiry
25g -- 5 In Stock Beijing Inquiry
25g >98% 5 In Stock Hong Kong Inquiry
100g -- 5 In Stock Shanghai Inquiry
5g -- 4 In Stock Shanghai Inquiry
100g >98% 3 In Stock Shanghai Inquiry
500g -- 0 Out of Stock Shanghai Inquiry
500g >98% 0 Out of Stock Beijing Inquiry

167690-53-1 / 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid

Standard CAS: 167690-53-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
167690-53-1
Multi CAS
No
Molecular Formula
C23H25NO4
Molecular Weight
379.400000
Exact Mass
379.178358
SMILES
C1CC(CCC1CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C23H25NO4/c25-22(26)16-11-9-15(10-12-16)13-24-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21H,9-14H2,(H,24,27)(H,25,26)
InChIKey
MLMIBGARTUSGND-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
106.16
TPSA
75.63

LogP / Solubility

WLOGP
4.42
MLOGP
3.91
XLogP3
4.1
Consensus LogP
4.14
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.39
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)
-1.9

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 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): 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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