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CAS 82511-61-3 2-Methanesulfonyl-1H-pyrrole molecular structure lightbox
CAS RN: 82511-61-3

2-Methanesulfonyl-1H-pyrrole

  • Product code: SSC-190642
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 82511-61-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry

82511-61-3 / 2-methylsulfonyl-1H-pyrrole

Standard CAS: 82511-61-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
82511-61-3
Multi CAS
No
Molecular Formula
C5H7NO2S
Molecular Weight
145.180000
Exact Mass
145.019750
InChI
InChI=1S/C5H7NO2S/c1-9(7,8)5-3-2-4-6-5/h2-4,6H,1H3
InChIKey
DFNJKJJPJAVTNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.9
TPSA
49.93

LogP / Solubility

WLOGP
0.42
MLOGP
0.36
XLogP3
0.3
Consensus LogP
0.36
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
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)
-3.31

Drug-likeness / Medicinal Chemistry

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

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