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CAS 776-86-3 6-HYDROXY-7-METHOXYCOUMARIN molecular structure lightbox
CAS RN: 776-86-3

6-HYDROXY-7-METHOXYCOUMARIN

Product Availability

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5 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250125 100mg Out of stock Inquiry
Batchno.20250127 250mg Out of stock Inquiry
Batchno.20260306 25mg Out of stock Inquiry
Batchno.20260602 50mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251027 5mg / 20mg / 100mg / 250mg Confirm by inquiry Shanghai, Shandong, Hebei, Guangdong Inquiry
  • Product code: starshine_CAS776-86-3
  • Purity/Analytical Methods: >99.0%
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776-86-3 / 6-hydroxy-7-methoxychromen-2-one

Standard CAS: 776-86-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
776-86-3
Multi CAS
Yes
Molecular Formula
C10H8O4
Molecular Weight
192.170000
Exact Mass
192.042259
InChI
InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
InChIKey
SYTYLPHCLSSCOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.7
TPSA
59.67

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
1.5
Consensus LogP
1.45
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

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

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