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CAS 63233-46-5 KW-6055 molecular structure lightbox
CAS RN: 63233-46-5

KW-6055

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260331 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS63233-46-5
  • Purity/Analytical Methods: >99.0%
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63233-46-5 / N-[3-nitro-4-(pyridin-2-ylmethyl)phenyl]butanamide

Standard CAS: 63233-46-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
63233-46-5
Multi CAS
No
Molecular Formula
C16H17N3O3
Molecular Weight
299.320000
Exact Mass
299.126991
InChI
InChI=1S/C16H17N3O3/c1-2-5-16(20)18-14-8-7-12(15(11-14)19(21)22)10-13-6-3-4-9-17-13/h3-4,6-9,11H,2,5,10H2,1H3,(H,18,20)
InChIKey
CZKQVCYQBJJAGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
83.68
TPSA
85.13

LogP / Solubility

WLOGP
3.32
MLOGP
2.93
XLogP3
2.6
Consensus LogP
2.95
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-2.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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