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CAS 755013-59-3 Veledimex (racemate) molecular structure lightbox
CAS RN: 755013-59-3

Veledimex (racemate)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250307 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS755013-59-3
  • Purity/Analytical Methods: >99.0%
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755013-59-3 / N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)-2-ethyl-3-methoxybenzohydrazide

Standard CAS: 755013-59-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
755013-59-3
Multi CAS
No
Molecular Formula
C27H38N2O3
Molecular Weight
438.600000
Exact Mass
438.288243
InChI
InChI=1S/C27H38N2O3/c1-9-12-24(27(5,6)7)29(26(31)20-16-18(3)15-19(4)17-20)28-25(30)22-13-11-14-23(32-8)21(22)10-2/h11,13-17,24H,9-10,12H2,1-8H3,(H,28,30)
InChIKey
LZWZPGLVHLSWQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
130.07
TPSA
58.64

LogP / Solubility

WLOGP
5.88
MLOGP
5.2
XLogP3
7.1
Consensus LogP
6.06
Log S (ESOL)
-6.08
Class (ESOL)
Insoluble
Log S (Ali)
-7.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.22

Drug-likeness / Medicinal Chemistry

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

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