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CAS 219793-45-0 AHAS inhibitor molecular structure lightbox
CAS RN: 219793-45-0

AHAS inhibitor

Product Availability

Choose a grade to view its available package options.

8 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260220 100mg In stock Shanghai Inquiry
Batchno.20260603 10mg In stock Shanghai Inquiry
Batchno.20250107 1mg In stock Shanghai Inquiry
Batchno.20260120 250mg Out of stock Inquiry
Batchno.20260210 25mg In stock Shanghai Inquiry
Batchno.20260620 50mg Out of stock Inquiry
Batchno.20250530 5mg In stock Shanghai Inquiry
Batchno.20251203 5mg / 50mg / 200mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-105711
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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 219793-45-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

219793-45-0 / [5-(benzenesulfonyl)-2-nitrophenyl] 4-chlorobenzoate

Standard CAS: 219793-45-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
219793-45-0
Multi CAS
No
Molecular Formula
C19H12ClNO6S
Molecular Weight
417.800000
Exact Mass
417.007386
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H12ClNO6S/c20-14-8-6-13(7-9-14)19(22)27-18-12-16(10-11-17(18)21(23)24)28(25,26)15-4-2-1-3-5-15/h1-12H
InChIKey
WNDWKKPBLAKXMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
101.4
TPSA
103.58

LogP / Solubility

WLOGP
4.3
MLOGP
3.81
XLogP3
4.6
Consensus LogP
4.24
Log S (ESOL)
-5.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.55
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.22

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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