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CAS 304881-10-5 7-hydroxy-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-chromen-2-one molecular structure lightbox
CAS RN: 304881-10-5

7-hydroxy-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-chromen-2-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250519 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS304881-10-5
  • Purity/Analytical Methods: >99.0%
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304881-10-5 / 7-hydroxy-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]chromen-2-one

Standard CAS: 304881-10-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
304881-10-5
Multi CAS
No
Molecular Formula
C19H13NO4S
Molecular Weight
351.400000
Exact Mass
351.056529
InChI
InChI=1S/C19H13NO4S/c1-23-14-6-3-11(4-7-14)16-10-25-18(20-16)15-8-12-2-5-13(21)9-17(12)24-19(15)22/h2-10,21H,1H3
InChIKey
JKMMPUXYPPUPRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
97.24
TPSA
72.56

LogP / Solubility

WLOGP
4.3
MLOGP
3.8
XLogP3
3.9
Consensus LogP
4
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.81

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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