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CAS 473731-12-3 3-aMino-N-cyclohexyl-2-hydroxy-N-MethylbenzaMide molecular structure lightbox
CAS RN: 473731-12-3

3-aMino-N-cyclohexyl-2-hydroxy-N-MethylbenzaMide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260109 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS473731-12-3
  • Purity/Analytical Methods: >99.0%
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473731-12-3 / 3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide

Standard CAS: 473731-12-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
473731-12-3
Multi CAS
No
Molecular Formula
C14H20N2O2
Molecular Weight
248.320000
Exact Mass
248.152478
InChI
InChI=1S/C14H20N2O2/c1-16(10-6-3-2-4-7-10)14(18)11-8-5-9-12(15)13(11)17/h5,8-10,17H,2-4,6-7,15H2,1H3
InChIKey
WLERMIYRDMKOEK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.49
TPSA
66.56

LogP / Solubility

WLOGP
2.38
MLOGP
2.1
XLogP3
2.7
Consensus LogP
2.39
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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