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CAS 4003-89-8 7-Methoxycoumarin molecular structure lightbox
CAS RN: 4003-89-8

7-Methoxycoumarin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250712 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4003-89-8
  • Purity/Analytical Methods: >99.0%
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4003-89-8 / 7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

Standard CAS: 4003-89-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4003-89-8
Multi CAS
Yes
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
InChI
InChI=1S/C11H15NO/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3
InChIKey
ZNWNWWLWFCCREO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.99
TPSA
35.25

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
2.1
Consensus LogP
1.65
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately 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)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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