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CAS 423165-13-3 8-BENZYL-3-EXO-(3-ISOPROPYL-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO[3.2.1]OCTANE molecular structure lightbox
CAS RN: 423165-13-3

8-BENZYL-3-EXO-(3-ISOPROPYL-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO[3.2.1]OCTANE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250128 50mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS423165-13-3
  • Purity/Analytical Methods: >99.0%
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423165-13-3 / 8-benzyl-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane

Standard CAS: 423165-13-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
423165-13-3
Multi CAS
Yes
Molecular Formula
C20H28N4
Molecular Weight
324.500000
Exact Mass
324.231397
InChI
InChI=1S/C20H28N4/c1-14(2)20-22-21-15(3)24(20)19-11-17-9-10-18(12-19)23(17)13-16-7-5-4-6-8-16/h4-8,14,17-19H,9-13H2,1-3H3
InChIKey
YHGHRIAZABSSGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
11
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
95.91
TPSA
33.95

LogP / Solubility

WLOGP
4.08
MLOGP
3.6
XLogP3
3.6
Consensus LogP
3.76
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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