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CAS 56201-87-7 8-hydroxy-7-methoxyisochroman-3-one molecular structure lightbox
CAS RN: 56201-87-7

8-hydroxy-7-methoxyisochroman-3-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250428 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS56201-87-7
  • Purity/Analytical Methods: >99.0%
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56201-87-7 / 8-hydroxy-7-methoxy-1,4-dihydroisochromen-3-one

Standard CAS: 56201-87-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56201-87-7
Multi CAS
Yes
Molecular Formula
C10H10O4
Molecular Weight
194.180000
Exact Mass
194.057909
InChI
InChI=1S/C10H10O4/c1-13-8-3-2-6-4-9(11)14-5-7(6)10(8)12/h2-3,12H,4-5H2,1H3
InChIKey
PZTVBZDAJNKZRM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.16
TPSA
55.76

LogP / Solubility

WLOGP
1
MLOGP
0.88
XLogP3
0.9
Consensus LogP
0.93
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-3.19

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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