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CAS 80293-60-3 3-[(3-Acrylamidopropyl)dimethylammonio]propane-1-sulfonate molecular structure lightbox
CAS RN: 80293-60-3

3-[(3-Acrylamidopropyl)dimethylammonio]propane-1-sulfonate

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260227 1g In stock Inquiry
Batchno.20250107 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250827 1g / 5g / 25g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: ICTA3361
  • Purity/Analytical Methods: >97.0%(HPLC)(N)
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80293-60-3 / 3-[dimethyl-[3-(prop-2-enoylamino)propyl]azaniumyl]propane-1-sulfonate

Standard CAS: 80293-60-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80293-60-3
Multi CAS
Yes
Molecular Formula
C11H22N2O4S
Molecular Weight
278.370000
Exact Mass
278.130028
InChI
InChI=1S/C11H22N2O4S/c1-4-11(14)12-7-5-8-13(2,3)9-6-10-18(15,16)17/h4H,1,5-10H2,2-3H3,(H-,12,14,15,16,17)
InChIKey
KVKJQOXYGGPBIW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.73
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.85
TPSA
86.3

LogP / Solubility

WLOGP
-0.31
MLOGP
-0.26
XLogP3
-0.3
Consensus LogP
-0.29
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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