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CAS 144976-83-0 2-Azabicyclo[2.2.2]octane-2,3-dicarboxylic acid, 2-(9H-fluoren-9-ylmethyl) ester, (S)- (9CI) molecular structure lightbox
CAS RN: 144976-83-0

2-Azabicyclo[2.2.2]octane-2,3-dicarboxylic acid, 2-(9H-fluoren-9-ylmethyl) ester, (S)- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 100mg Out of stock 1 business days Inquiry
  • Product code: SSC-056360
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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 144976-83-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

144976-83-0 / (3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azabicyclo[2.2.2]octane-3-carboxylic acid

Standard CAS: 144976-83-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144976-83-0
Multi CAS
No
Molecular Formula
C23H23NO4
Molecular Weight
377.400000
Exact Mass
377.162708
SMILES
C1CC2CCC1[C@H](N2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C23H23NO4/c25-22(26)21-14-9-11-15(12-10-14)24(21)23(27)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14-15,20-21H,9-13H2,(H,25,26)/t14?,15?,21-/m0/s1
InChIKey
JYRVARBAKGORKU-XFMWISLNSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
104.08
TPSA
66.84

LogP / Solubility

WLOGP
4.26
MLOGP
3.77
XLogP3
4.2
Consensus LogP
4.08
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.01
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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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