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CAS 63812-63-5 N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazin-2-amine molecular structure lightbox
CAS RN: 63812-63-5

N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazin-2-amine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250830 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS63812-63-5
  • Purity/Analytical Methods: >99.0%
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63812-63-5 / N-butyl-4,6-dichloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine

Standard CAS: 63812-63-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
63812-63-5
Multi CAS
No
Molecular Formula
C16H27CL2N5
Molecular Weight
360.300000
Exact Mass
359.164351
InChI
InChI=1S/C16H27Cl2N5/c1-6-7-8-23(14-20-12(17)19-13(18)21-14)11-9-15(2,3)22-16(4,5)10-11/h11,22H,6-10H2,1-5H3
InChIKey
GFFYOTUTUOQYLA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.81
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
96.42
TPSA
53.94

LogP / Solubility

WLOGP
4.09
MLOGP
3.62
XLogP3
5
Consensus LogP
4.24
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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