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CAS 63740-81-8 7-HYDROXYWARFARIN molecular structure lightbox
CAS RN: 63740-81-8

7-HYDROXYWARFARIN

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250904 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS63740-81-8
  • Purity/Analytical Methods: >99.0%
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63740-81-8 / 4,7-dihydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one

Standard CAS: 63740-81-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
63740-81-8
Multi CAS
Yes
Molecular Formula
C19H16O5
Molecular Weight
324.300000
Exact Mass
324.099774
InChI
InChI=1S/C19H16O5/c1-11(20)9-15(12-5-3-2-4-6-12)17-18(22)14-8-7-13(21)10-16(14)24-19(17)23/h2-8,10,15,21-22H,9H2,1H3/t15-/m0/s1
InChIKey
SKFYEJMLNMTTJA-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.16
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
89.4
TPSA
87.74

LogP / Solubility

WLOGP
3.32
MLOGP
2.93
XLogP3
2.3
Consensus LogP
2.85
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.61
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-2.34

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

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