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CAS 214210-14-7 3-BROMO-N-PYRROLIDIN-1-YLBENZENESULPHONAMIDE molecular structure lightbox
CAS RN: 214210-14-7

3-BROMO-N-PYRROLIDIN-1-YLBENZENESULPHONAMIDE

  • Product code: SSC-102689
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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: ＞97%
  • 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 214210-14-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

214210-14-7 / 1-(3-bromophenyl)sulfonylpyrrolidine

Standard CAS: 214210-14-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214210-14-7
Multi CAS
No
Molecular Formula
C10H12BrNO2S
Molecular Weight
290.180000
Exact Mass
288.977210
SMILES
C1CCN(C1)S(=O)(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H12BrNO2S/c11-9-4-3-5-10(8-9)15(13,14)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2
InChIKey
SAGKQVHXBDTCPH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
62.13
TPSA
37.38

LogP / Solubility

WLOGP
2.23
MLOGP
1.98
XLogP3
2.2
Consensus LogP
2.14
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly 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)
-2.9

Drug-likeness / Medicinal Chemistry

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

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