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CAS 1421258-65-2 (9H-Fluoren-9-yl)MethOxy]Carbonyl (R)-3-Amino-4-(4-methoxy-phenyl)-butyric acid molecular structure lightbox
CAS RN: 1421258-65-2

(9H-Fluoren-9-yl)MethOxy]Carbonyl (R)-3-Amino-4-(4-methoxy-phenyl)-butyric acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250420 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1421258-65-2
  • Purity/Analytical Methods: >99.0%
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1421258-65-2 / (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-methoxyphenyl)butanoic acid

Standard CAS: 1421258-65-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1421258-65-2
Multi CAS
No
Molecular Formula
C26H25NO5
Molecular Weight
431.500000
Exact Mass
431.173273
SMILES
COC1=CC=C(C=C1)C[C@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H25NO5/c1-31-19-12-10-17(11-13-19)14-18(15-25(28)29)27-26(30)32-16-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,18,24H,14-16H2,1H3,(H,27,30)(H,28,29)/t18-/m1/s1
InChIKey
CJDCTKLQKDWTLG-GOSISDBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
120.94
TPSA
84.86

LogP / Solubility

WLOGP
4.62
MLOGP
4.09
XLogP3
4.5
Consensus LogP
4.4
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.26
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)
-2.07

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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