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CAS 129-06-6 Warfarin Sodium (contains Isopropyl Alcohol) molecular structure lightbox
CAS RN: 129-06-6

Warfarin Sodium (contains Isopropyl Alcohol)

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9 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250306 1g In stock Shanghai, Guangdong, Chongqing Inquiry
Batchno.20260614 25g In stock Shanghai, Guangdong, Hebei Inquiry
Batchno.20251014 5g In stock Shanghai, Shandong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250309 100g Out of stock Inquiry
Batchno.20250217 1g In stock Inquiry
Batchno.20250715 25g In stock Inquiry
Batchno.20250329 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260321 100g Out of stock Inquiry
Batchno.20250109 1mg In stock Tianjin, Wuhan Inquiry
  • Product code: ICTW0005
  • Purity/Analytical Methods: >98.0%(HPLC)
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129-06-6 / sodium 2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-olate

Standard CAS: 129-06-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
129-06-6
Multi CAS
No
Molecular Formula
C19H15NaO4
Molecular Weight
330.300000
Exact Mass
330.086803
SMILES
CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]
InChI
InChI=1S/C19H16O4.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,21H,11H2,1H3;/q;+1/p-1
InChIKey
KYITYFHKDODNCQ-UHFFFAOYSA-M

Physical Properties

Physical Description
Warfarin sodium is a slightly bitter crystalline powder. An anticoagulant used as a rodenticide. (EPA, 1998)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.16
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
85.51
TPSA
70.34

LogP / Solubility

WLOGP
-0.02
XLogP3
-0.02
Consensus LogP
-0.01
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Acute Toxic Health Hazard
Signal
Danger
GHS Hazard Statements
H300 (99.1%): Fatal if swallowed [Danger Acute toxicity, oral] H310 (49.1%): Fatal in contact with skin [Danger Acute toxicity, dermal] H330 (49.1%): Fatal if inhaled [Danger Acute toxicity, inhalation] H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity] H372 (49.1%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P318, P319, P320, P321, P330, P361+P364, P403+P233, P405, and P501

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