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CAS 850881-86-6 2H-1-Benzopyran-2-one, 4-(4-fluorophenyl)-7-hydroxy- molecular structure lightbox
CAS RN: 850881-86-6

2H-1-Benzopyran-2-one, 4-(4-fluorophenyl)-7-hydroxy-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS850881-86-6
  • Purity/Analytical Methods: >99.0%
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850881-86-6 / 4-(4-fluorophenyl)-7-hydroxychromen-2-one

Standard CAS: 850881-86-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
850881-86-6
Multi CAS
No
Molecular Formula
C15FH9O3
Molecular Weight
256.230000
Exact Mass
256.053572
InChI
InChI=1S/C15H9FO3/c16-10-3-1-9(2-4-10)13-8-15(18)19-14-7-11(17)5-6-12(13)14/h1-8,17H
InChIKey
IFZWARQDKMDZNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.54
TPSA
50.44

LogP / Solubility

WLOGP
3.3
MLOGP
2.91
XLogP3
3.3
Consensus LogP
3.17
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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