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CAS 88496-95-1 3-bromopropane-1-sulfonamide molecular structure lightbox
CAS RN: 88496-95-1

3-bromopropane-1-sulfonamide

  • Product code: SSC-199196
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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 88496-95-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

88496-95-1 / 3-bromopropane-1-sulfonamide

Standard CAS: 88496-95-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88496-95-1
Multi CAS
No
Molecular Formula
BC3H8O2RnS
Molecular Weight
202.070000
Exact Mass
200.945910
InChI
InChI=1S/C3H8BrNO2S/c4-2-1-3-8(5,6)7/h1-3H2,(H2,5,6,7)
InChIKey
FYOYUUWBYQOIKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.39
TPSA
60.16

LogP / Solubility

WLOGP
0.06
MLOGP
0.05
Consensus LogP
0.04
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
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)
-3.91

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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