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CAS 2440-62-2 N-SUCCINYL-L-PHENYLALANINE P-NITROANILIDE molecular structure lightbox
CAS RN: 2440-62-2

N-SUCCINYL-L-PHENYLALANINE P-NITROANILIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260411 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS2440-62-2
  • Purity/Analytical Methods: >99.0%
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2440-62-2 / 4-[[1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid

Standard CAS: 2440-62-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2440-62-2
Multi CAS
No
Molecular Formula
C19H19N3O6
Molecular Weight
385.400000
Exact Mass
385.127385
SMILES
C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CCC(=O)O
InChI
InChI=1S/C19H19N3O6/c23-17(10-11-18(24)25)21-16(12-13-4-2-1-3-5-13)19(26)20-14-6-8-15(9-7-14)22(27)28/h1-9,16H,10-12H2,(H,20,26)(H,21,23)(H,24,25)
InChIKey
KNBLWBFJHZHYFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
3
Molar refractivity
100.67
TPSA
138.64

LogP / Solubility

WLOGP
2.13
MLOGP
1.89
XLogP3
1.7
Consensus LogP
1.91
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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