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CAS 28281-58-5 7-Methoxyphthalide molecular structure lightbox
CAS RN: 28281-58-5

7-Methoxyphthalide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260426 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS28281-58-5
  • Purity/Analytical Methods: >99.0%
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28281-58-5 / 7-methoxy-3H-2-benzofuran-1-one

Standard CAS: 28281-58-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28281-58-5
Multi CAS
No
Molecular Formula
C9H8O3
Molecular Weight
164.160000
Exact Mass
164.047344
InChI
InChI=1S/C9H8O3/c1-11-7-4-2-3-6-5-12-9(10)8(6)7/h2-4H,5H2,1H3
InChIKey
SQDGLTMPUVJBDH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
42.11
TPSA
35.53

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
1.3
Consensus LogP
1.29
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

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

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