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CAS 6154-45-6 BZ-TYR-PNA molecular structure lightbox
CAS RN: 6154-45-6

BZ-TYR-PNA

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250915 500mg / 1g Out of stock 8-10 business days Inquiry
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  • Product code: starshine_CAS6154-45-6
  • Purity/Analytical Methods: >99.0%
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6154-45-6 / N-[(2S)-3-(4-hydroxyphenyl)-1-(4-nitroanilino)-1-oxopropan-2-yl]benzamide

Standard CAS: 6154-45-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6154-45-6
Multi CAS
Yes
Molecular Formula
C22H19N3O5
Molecular Weight
405.400000
Exact Mass
405.132471
InChI
InChI=1S/C22H19N3O5/c26-19-12-6-15(7-13-19)14-20(24-21(27)16-4-2-1-3-5-16)22(28)23-17-8-10-18(11-9-17)25(29)30/h1-13,20,26H,14H2,(H,23,28)(H,24,27)/t20-/m0/s1
InChIKey
CJERUMAUMMIPRF-FQEVSTJZSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.09
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
111.23
TPSA
121.57

LogP / Solubility

WLOGP
3.28
MLOGP
2.91
XLogP3
3.6
Consensus LogP
3.26
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.86

Drug-likeness / Medicinal Chemistry

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

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