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CAS 59639-96-2 N-Allyllmethanesulfonamide molecular structure lightbox
CAS RN: 59639-96-2

N-Allyllmethanesulfonamide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250305 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-168169
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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: 1g
  • 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 59639-96-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

59639-96-2 / N-prop-2-enylmethanesulfonamide

Standard CAS: 59639-96-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59639-96-2
Multi CAS
No
Molecular Formula
C4H9NO2S
Molecular Weight
135.190000
Exact Mass
135.035400
InChI
InChI=1S/C4H9NO2S/c1-3-4-5-8(2,6)7/h3,5H,1,4H2,2H3
InChIKey
TYVZEADQWCCODY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.04
TPSA
46.17

LogP / Solubility

WLOGP
-0.28
MLOGP
-0.25
Consensus LogP
-0.18
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.47
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.74

Drug-likeness / Medicinal Chemistry

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

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