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CAS 6613-65-6 4-[[2-(Methacryloyloxy)ethyl]dimethylammonio]butane-1-sulfonate molecular structure lightbox
CAS RN: 6613-65-6

4-[[2-(Methacryloyloxy)ethyl]dimethylammonio]butane-1-sulfonate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250201 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-175775
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 6613-65-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

6613-65-6 / 4-[dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azaniumyl]butane-1-sulfonate

Standard CAS: 6613-65-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6613-65-6
Multi CAS
No
Molecular Formula
C12H23NO5S
Molecular Weight
293.380000
Exact Mass
293.129694
InChI
InChI=1S/C12H23NO5S/c1-11(2)12(14)18-9-8-13(3,4)7-5-6-10-19(15,16)17/h1,5-10H2,2-4H3
InChIKey
GPVILMAFGAKQPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.75
Rotatable bonds
9
H-bond acceptors
5
Molar refractivity
71.41
TPSA
83.5

LogP / Solubility

WLOGP
0.51
MLOGP
0.46
XLogP3
0.7
Consensus LogP
0.56
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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)
-4.15

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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