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CAS 653589-47-0 (2S,4S)-1-(((9H-fluoren-9-yl)methoxy)carbonyl)-4-hydroxypiperidine-2-carboxylic acid molecular structure lightbox
CAS RN: 653589-47-0

(2S,4S)-1-(((9H-fluoren-9-yl)methoxy)carbonyl)-4-hydroxypiperidine-2-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260319 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-175010
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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: 1g
  • Available purity: >95%
  • 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 653589-47-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

653589-47-0 / (2S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-hydroxypiperidine-2-carboxylic acid

Standard CAS: 653589-47-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
653589-47-0
Multi CAS
Yes
Molecular Formula
C21H21NO5
Molecular Weight
367.400000
Exact Mass
367.141973
InChI
InChI=1S/C21H21NO5/c23-13-9-10-22(19(11-13)20(24)25)21(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18-19,23H,9-12H2,(H,24,25)/t13-,19-/m0/s1
InChIKey
CJGSLUBWMLBOFZ-DJJJIMSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
98.44
TPSA
87.07

LogP / Solubility

WLOGP
2.85
MLOGP
2.52
XLogP3
2.7
Consensus LogP
2.69
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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