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CAS 23694-02-2 Ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)- (9CI) molecular structure lightbox
CAS RN: 23694-02-2

Ethanone, 2-chloro-1-(1-methyl-1H-pyrrol-2-yl)- (9CI)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251121 250mg In stock Shanghai Inquiry
  • Product code: SSC-115264
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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, 5g
  • Available purity: >97%
  • 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 23694-02-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

23694-02-2 / 2-chloro-1-(1-methylpyrrol-2-yl)ethanone

Standard CAS: 23694-02-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23694-02-2
Multi CAS
No
Molecular Formula
C7H8ClNO
Molecular Weight
157.600000
Exact Mass
157.029442
SMILES
CN1C=CC=C1C(=O)CCl
InChI
InChI=1S/C7H8ClNO/c1-9-4-2-3-6(9)7(10)5-8/h2-4H,5H2,1H3
InChIKey
XOKIPANBKVPEEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
40.46
TPSA
22

LogP / Solubility

WLOGP
1.45
MLOGP
1.27
XLogP3
1.3
Consensus LogP
1.34
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-2.65

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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