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CAS 128441-99-6 (S)-(+)-(2-Methylacryloyl)-2,10-camphorsultam molecular structure lightbox
CAS RN: 128441-99-6

(S)-(+)-(2-Methylacryloyl)-2,10-camphorsultam

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251123 1g Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250819 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS128441-99-6
  • Purity/Analytical Methods: >99.0%
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128441-99-6 / 1-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-2-methylprop-2-en-1-one

Standard CAS: 128441-99-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
128441-99-6
Multi CAS
No
Molecular Formula
C14H21NO3S
Molecular Weight
283.390000
Exact Mass
283.124215
SMILES
CC(=C)C(=O)N1[C@H]2C[C@@H]3CC[C@]2(C3(C)C)CS1(=O)=O
InChI
InChI=1S/C14H21NO3S/c1-9(2)12(16)15-11-7-10-5-6-14(11,13(10,3)4)8-19(15,17)18/h10-11H,1,5-8H2,2-4H3/t10-,11-,14-/m0/s1
InChIKey
BALAVPVKVQRBKA-MJVIPROJSA-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
2.5
Consensus LogP
2.05
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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