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CAS 35985-98-9 (1R,5R)-9-tosyl-9-azabicyclo[3.3.1]nona-2,6-diene molecular structure lightbox
CAS RN: 35985-98-9

(1R,5R)-9-tosyl-9-azabicyclo[3.3.1]nona-2,6-diene

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Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251116 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS35985-98-9
  • Purity/Analytical Methods: >99.0%
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35985-98-9 / 9-(4-methylphenyl)sulfonyl-9-azabicyclo[3.3.1]nona-2,6-diene

Standard CAS: 35985-98-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35985-98-9
Multi CAS
Yes
Molecular Formula
C15H17NO2S
Molecular Weight
275.400000
Exact Mass
275.098000
InChI
InChI=1S/C15H17NO2S/c1-12-8-10-15(11-9-12)19(17,18)16-13-4-2-5-14(16)7-3-6-13/h2-4,7-11,13-14H,5-6H2,1H3/t13-,14+/m0/s1
InChIKey
KJGDBZDLANAJKW-UONOGXRCSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
75.29
TPSA
37.38

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
2.9
Consensus LogP
2.62
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5

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