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CAS 1971937-18-4 Methanone, [2-(ethylsulfonyl)phenyl][(2S)-4-(6-fluoro-2-benzothiazolyl)-2-methyl-1-piperazinyl]- molecular structure lightbox
CAS RN: 1971937-18-4

Methanone, [2-(ethylsulfonyl)phenyl][(2S)-4-(6-fluoro-2-benzothiazolyl)-2-methyl-1-piperazinyl]-

Product Availability

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7 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260226 100mg In stock Shanghai Inquiry
Batchno.20250728 10mg In stock Shanghai Inquiry
Batchno.20250531 1mg In stock Shanghai Inquiry
Batchno.20260103 250mg Out of stock Inquiry
Batchno.20260104 25mg In stock Shanghai Inquiry
Batchno.20260227 50mg Out of stock Inquiry
Batchno.20250313 5mg In stock Shanghai Inquiry
  • Product code: SSC-093002
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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: 0.1g
  • 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 1971937-18-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1971937-18-4 / (2-ethylsulfonylphenyl)-[(2S)-4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]methanone

Standard CAS: 1971937-18-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1971937-18-4
Multi CAS
No
Molecular Formula
C21H22FN3O3S2
Molecular Weight
447.600000
Exact Mass
447.108662
SMILES
CCS(=O)(=O)C1=CC=CC=C1C(=O)N2CCN(C[C@@H]2C)C3=NC4=C(S3)C=C(C=C4)F
InChI
InChI=1S/C21H22FN3O3S2/c1-3-30(27,28)19-7-5-4-6-16(19)20(26)25-11-10-24(13-14(25)2)21-23-17-9-8-15(22)12-18(17)29-21/h4-9,12,14H,3,10-11,13H2,1-2H3/t14-/m0/s1
InChIKey
UKQOLPNYRVPCBM-AWEZNQCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
116.46
TPSA
70.58

LogP / Solubility

WLOGP
3.58
MLOGP
3.18
XLogP3
3.9
Consensus LogP
3.55
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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