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CAS 367928-68-5 8-Phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid molecular structure lightbox
CAS RN: 367928-68-5

8-Phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260615 1g / 5g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS367928-68-5
  • Purity/Analytical Methods: >99.0%
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367928-68-5 / 8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid

Standard CAS: 367928-68-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
367928-68-5
Multi CAS
No
Molecular Formula
C15H19NO2S
Molecular Weight
277.400000
Exact Mass
277.113650
InChI
InChI=1S/C15H19NO2S/c17-14(18)13-10-19-15(16-13)8-6-12(7-9-15)11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,17,18)
InChIKey
QDANBNHEWQZATI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.4
TPSA
49.33

LogP / Solubility

WLOGP
2.83
MLOGP
2.5
XLogP3
0.5
Consensus LogP
1.94
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly 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)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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