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CAS 853751-19-6 8-[(4-Methylbenzene)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane molecular structure lightbox
CAS RN: 853751-19-6

8-[(4-Methylbenzene)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260625 500mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS853751-19-6
  • Purity/Analytical Methods: >99.0%
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853751-19-6 / 8-(4-methylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

Standard CAS: 853751-19-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
853751-19-6
Multi CAS
No
Molecular Formula
C14H19NO4S
Molecular Weight
297.370000
Exact Mass
297.103479
InChI
InChI=1S/C14H19NO4S/c1-12-2-4-13(5-3-12)20(16,17)15-8-6-14(7-9-15)18-10-11-19-14/h2-5H,6-11H2,1H3
InChIKey
AIUOOZWKSYNHFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
73.81
TPSA
55.84

LogP / Solubility

WLOGP
1.52
MLOGP
1.35
XLogP3
1.4
Consensus LogP
1.42
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
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)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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