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CAS 204320-59-2 (R,S)-FMOC-1,3-DIHYDRO-2H-ISOINDOLE CARBOXYLIC ACID molecular structure lightbox
CAS RN: 204320-59-2

(R,S)-FMOC-1,3-DIHYDRO-2H-ISOINDOLE CARBOXYLIC ACID

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250110 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS204320-59-2
  • Purity/Analytical Methods: >99.0%
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204320-59-2 / 2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroisoindole-1-carboxylic acid

Standard CAS: 204320-59-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204320-59-2
Multi CAS
No
Molecular Formula
C24H19NO4
Molecular Weight
385.400000
Exact Mass
385.131408
SMILES
C1C2=CC=CC=C2C(N1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C24H19NO4/c26-23(27)22-16-8-2-1-7-15(16)13-25(22)24(28)29-14-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h1-12,21-22H,13-14H2,(H,26,27)
InChIKey
YDLDAMFCNLVPGY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
107.43
TPSA
66.84

LogP / Solubility

WLOGP
4.58
MLOGP
4.05
XLogP3
4.1
Consensus LogP
4.24
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.32
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)
-1.82

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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