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CAS 1550008-55-3 ML264 molecular structure lightbox
CAS RN: 1550008-55-3

ML264

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260301 100mg In stock Shanghai Inquiry
Batchno.20250116 10mg In stock Shanghai Inquiry
Batchno.20250410 250mg In stock Shanghai Inquiry
Batchno.20250318 25mg In stock Shanghai Inquiry
Batchno.20250204 50mg In stock Shanghai Inquiry
Batchno.20250905 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-064311
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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 1550008-55-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

1550008-55-3 / (E)-3-(3-chlorophenyl)-N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]prop-2-enamide

Standard CAS: 1550008-55-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1550008-55-3
Multi CAS
No
Molecular Formula
C17H21ClN2O4S
Molecular Weight
384.900000
Exact Mass
384.091056
SMILES
CN(C1CCS(=O)(=O)CC1)C(=O)CNC(=O)/C=C/C2=CC(=CC=C2)Cl
InChI
InChI=1S/C17H21ClN2O4S/c1-20(15-7-9-25(23,24)10-8-15)17(22)12-19-16(21)6-5-13-3-2-4-14(18)11-13/h2-6,11,15H,7-10,12H2,1H3,(H,19,21)/b6-5+
InChIKey
AJCDZIDKYKCOMZ-AATRIKPKSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.41
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
97.94
TPSA
83.55

LogP / Solubility

WLOGP
1.5
MLOGP
1.35
XLogP3
1.7
Consensus LogP
1.52
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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