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CAS 35986-02-8 (1r,3r,5r,7r)-6-tosyl-2-oxa-6-azaadaMantane molecular structure lightbox
CAS RN: 35986-02-8

(1r,3r,5r,7r)-6-tosyl-2-oxa-6-azaadaMantane

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260501 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS35986-02-8
  • Purity/Analytical Methods: >99.0%
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35986-02-8 / 6-(4-methylphenyl)sulfonyl-2-oxa-6-azatricyclo[3.3.1.13,7]decane

Standard CAS: 35986-02-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35986-02-8
Multi CAS
No
Molecular Formula
C15H19NO3S
Molecular Weight
293.400000
Exact Mass
293.108565
InChI
InChI=1S/C15H19NO3S/c1-10-2-4-15(5-3-10)20(17,18)16-11-6-13-8-12(16)9-14(7-11)19-13/h2-5,11-14H,6-9H2,1H3
InChIKey
DMHPIBKXATYXKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
74.91
TPSA
46.61

LogP / Solubility

WLOGP
2.08
MLOGP
1.84
XLogP3
2.3
Consensus LogP
2.07
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6.5

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