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CAS 315706-13-9 4EGI-1 molecular structure lightbox
CAS RN: 315706-13-9

4EGI-1

Product Availability

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14 package records14 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260202 100mg In stock Inquiry
Batchno.20251202 10mg In stock Inquiry
Batchno.20260413 1mg In stock Inquiry
Batchno.20250725 25mg In stock Inquiry
Batchno.20251223 50mg In stock Inquiry
Batchno.20250515 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260318 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260611 100mg In stock Shanghai Inquiry
Batchno.20250504 10mg In stock Shanghai Inquiry
Batchno.20251008 1mg In stock Shanghai Inquiry
Batchno.20250326 250mg In stock Shanghai Inquiry
Batchno.20250518 25mg In stock Shanghai Inquiry
Batchno.20251201 50mg In stock Shanghai Inquiry
Batchno.20250823 5mg In stock Shanghai Inquiry
  • Product code: SSC-136979
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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 315706-13-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

315706-13-9 / 2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-(2-nitrophenyl)propanoic acid

Standard CAS: 315706-13-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
315706-13-9
Multi CAS
Yes
Molecular Formula
C18H12CL2N4O4S
Molecular Weight
451.300000
Exact Mass
449.995631
InChI
InChI=1S/C18H12Cl2N4O4S/c19-12-6-5-10(7-13(12)20)15-9-29-18(21-15)23-22-14(17(25)26)8-11-3-1-2-4-16(11)24(27)28/h1-7,9H,8H2,(H,21,23)(H,25,26)/b22-14+
InChIKey
KFRKRECSIYXARE-HYARGMPZSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
113.06
TPSA
117.72

LogP / Solubility

WLOGP
5.12
MLOGP
4.54
XLogP3
6.1
Consensus LogP
5.25
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

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

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