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CAS 886505-63-1 3-(9 H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-3-PYRIDIN-2-YL-PROPIONIC ACID molecular structure lightbox
CAS RN: 886505-63-1

3-(9 H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-3-PYRIDIN-2-YL-PROPIONIC ACID

  • Product code: SSC-200079
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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: 0.25g
  • 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 886505-63-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

886505-63-1 / 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid

Standard CAS: 886505-63-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886505-63-1
Multi CAS
No
Molecular Formula
C23H20N2O4
Molecular Weight
388.400000
Exact Mass
388.142307
InChI
InChI=1S/C23H20N2O4/c26-22(27)13-21(20-11-5-6-12-24-20)25-23(28)29-14-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-12,19,21H,13-14H2,(H,25,28)(H,26,27)
InChIKey
LCSLKNWMYOONQH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
107.44
TPSA
88.52

LogP / Solubility

WLOGP
4.14
MLOGP
3.66
XLogP3
3.1
Consensus LogP
3.63
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.34
Class (SILICOS-IT)
Insoluble

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)
-2.15

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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