CAS RN: 75472-93-4
WARFARIN-D5
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260309 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS75472-93-4
- Purity/Analytical Methods: >99.0%
75472-93-4 / 4-hydroxy-3-[3-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)butyl]chromen-2-one
Basic Information
CAS
75472-93-4
Multi CAS
No
Molecular Formula
C19H16O4
Molecular Weight
313.400000
Exact Mass
313.136243
InChI
InChI=1S/C19H16O4/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/i2D,3D,4D,7D,8D
InChIKey
PJVWKTKQMONHTI-ATTUOBAHSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.16
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
87.73
TPSA
67.51
LogP / Solubility
WLOGP
3.61
MLOGP
3.19
XLogP3
2.7
Consensus LogP
3.17
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04
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
3
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- Product Code: starshine_CAS75483-04-4
- Purity/Analytical method: >99.0%
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