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CAS 284491-95-8 3-(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-pyridin-3-ylpropanoic acid molecular structure lightbox
CAS RN: 284491-95-8

3-(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-pyridin-3-ylpropanoic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260528 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS284491-95-8
  • Purity/Analytical Methods: >99.0%
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284491-95-8 / 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid

Standard CAS: 284491-95-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
284491-95-8
Multi CAS
Yes
Molecular Formula
C23H20N2O4
Molecular Weight
388.400000
Exact Mass
388.142307
InChI
InChI=1S/C23H20N2O4/c26-22(27)12-21(15-6-5-11-24-13-15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-11,13,20-21H,12,14H2,(H,25,28)(H,26,27)
InChIKey
IZXATJNDHWFETN-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
Consensus LogP
3.6
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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