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CAS 189279-58-1 ABT-492 molecular structure lightbox
CAS RN: 189279-58-1

ABT-492

Product Availability

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16 package records15 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250511 100mg In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260318 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20250814 1g Out of stock Inquiry
Batchno.20250727 1mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20251104 250mg In stock Shanghai Inquiry
Batchno.20250514 25mg In stock Shanghai, Wuhan Inquiry
Batchno.20260427 50mg In stock Shanghai Inquiry
Batchno.20250203 5g In stock Shanghai Inquiry
Batchno.20250218 5mg In stock Shanghai, Wuhan Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251022 100mg In stock Inquiry
Batchno.20260101 10mg In stock Inquiry
Batchno.20250930 1g In stock Inquiry
Batchno.20260129 250mg In stock Inquiry
Batchno.20260208 25mg In stock Inquiry
Batchno.20250207 50mg In stock Inquiry
Batchno.20260315 5mg In stock Inquiry
  • Product code: SSC-088393
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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: 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 189279-58-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

189279-58-1 / 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid

Standard CAS: 189279-58-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
189279-58-1
Multi CAS
No
Molecular Formula
C18H12ClF3N4O4
Molecular Weight
440.800000
Exact Mass
440.049917
SMILES
C1C(CN1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F)O
InChI
InChI=1S/C18H12ClF3N4O4/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30)
InChIKey
DYDCPNMLZGFQTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
3
Molar refractivity
101.82
TPSA
121.68

LogP / Solubility

WLOGP
1.92
MLOGP
1.72
XLogP3
2.7
Consensus LogP
2.11
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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