CAS RN: 94668-55-0

(N-CROTONYL)-(2R)-BORNANE-10,2-SULTAM

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250626 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260321 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260104 25g In stock Shanghai Inquiry
Batchno.20251030 5g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250808 500mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS94668-55-0
  • Purity/Analytical Methods: >99.0%
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94668-55-0 / 1-(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)but-2-en-1-one

Standard CAS: 94668-55-0 Multi CAS: Yes

Basic Information

CAS
94668-55-0
Multi CAS
Yes
Molecular Formula
C14H21NO3S
Molecular Weight
283.390000
Exact Mass
283.124215
InChI
InChI=1S/C14H21NO3S/c1-4-5-12(16)15-11-8-10-6-7-14(11,13(10,2)3)9-19(15,17)18/h4-5,10-11H,6-9H2,1-3H3/b5-4+/t10-,11-,14-/m1/s1
InChIKey
BKPQKSSKLBTRJO-MNKRUUAMSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.79
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
72.79
TPSA
54.45

LogP / Solubility

WLOGP
1.93
MLOGP
1.71
XLogP3
2.3
Consensus LogP
1.98
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-3.08

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
6

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