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CAS 119944-89-7 N-Acryloyl-(2S)-bornane-10,2-sultam molecular structure lightbox
CAS RN: 119944-89-7

N-Acryloyl-(2S)-bornane-10,2-sultam

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250811 100mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260507 10g Out of stock Inquiry
Batchno.20260514 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250730 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260309 5g In stock Shanghai, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250426 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS119944-89-7
  • Purity/Analytical Methods: >99.0%
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119944-89-7 / 1-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]prop-2-en-1-one

4-Aza-5-thiatricyclo[5.2.1.0(3,7)]decane, 5,5-dioxo-4-(2-propenoyl)-10,10-dimethyl- | N-Acryloyl-(2S)-bornane-10,2-sultam | (S)-(+)-Acryloyl-2,10-camphorsultam

Standard CAS: 119944-89-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
119944-89-7
Multi CAS
Yes
Molecular Formula
C13H19NO3S
Molecular Weight
269.360000
Exact Mass
269.108565
SMILES
CC1([C@H]2CC[C@@]13CS(=O)(=O)N([C@H]3C2)C(=O)C=C)C
InChI
InChI=1S/C13H19NO3S/c1-4-11(15)14-10-7-9-5-6-13(10,12(9,2)3)8-18(14,16)17/h4,9-10H,1,5-8H2,2-3H3
InChIKey
QYWKUFBZHFLMBU-UHFFFAOYSA-N
Synonyms
4-Aza-5-thiatricyclo[5.2.1.0(3,7)]decane, 5,5-dioxo-4-(2-propenoyl)-10,10-dimethyl- N-Acryloyl-(2S)-bornane-10,2-sultam (S)-(+)-Acryloyl-2,10-camphorsultam 1-(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)prop-2-en-1-one SCHEMBL3721581

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.77
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
68.17
TPSA
54.45

LogP / Solubility

WLOGP
1.54
MLOGP
1.36
XLogP3
2.1
Consensus LogP
1.67
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately 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)
-3.27

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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