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CAS 784172-19-6 2-CHLORO-1-(1-ETHYL-2,5-DIMETHYL-1H-PYRROL-3-YL)ETHANONE molecular structure lightbox
CAS RN: 784172-19-6

2-CHLORO-1-(1-ETHYL-2,5-DIMETHYL-1H-PYRROL-3-YL)ETHANONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260410 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-187833
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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: 0.25g
  • 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 784172-19-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

784172-19-6 / 2-chloro-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone

Standard CAS: 784172-19-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
784172-19-6
Multi CAS
No
Molecular Formula
C10H14CLNO
Molecular Weight
199.680000
Exact Mass
199.076392
InChI
InChI=1S/C10H14ClNO/c1-4-12-7(2)5-9(8(12)3)10(13)6-11/h5H,4,6H2,1-3H3
InChIKey
MZROZFPFLUMMOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
54.63
TPSA
22

LogP / Solubility

WLOGP
2.55
MLOGP
2.24
XLogP3
2.1
Consensus LogP
2.3
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13

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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