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CAS 485-90-5 7-HYDROXY-8-METHOXYCOUMARIN molecular structure lightbox
CAS RN: 485-90-5

7-HYDROXY-8-METHOXYCOUMARIN

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250105 5mg Out of stock 30 business days Inquiry
Batchno.20250130 5mg Out of stock Inquiry
  • Product code: starshine_CAS485-90-5
  • Purity/Analytical Methods: >99.0%
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485-90-5 / 7-hydroxy-8-methoxychromen-2-one

Standard CAS: 485-90-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
485-90-5
Multi CAS
No
Molecular Formula
C10H8O4
Molecular Weight
192.170000
Exact Mass
192.042259
InChI
InChI=1S/C10H8O4/c1-13-10-7(11)4-2-6-3-5-8(12)14-9(6)10/h2-5,11H,1H3
InChIKey
HAQWEMHXSIRYBE-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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