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CAS 91520-01-3 3,4-Dihydro-8-methoxy-2H-1-benzopyran-3-ol molecular structure lightbox
CAS RN: 91520-01-3

3,4-Dihydro-8-methoxy-2H-1-benzopyran-3-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250906 50mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS91520-01-3
  • Purity/Analytical Methods: >99.0%
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91520-01-3 / 8-methoxy-3,4-dihydro-2H-chromen-3-ol

Standard CAS: 91520-01-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91520-01-3
Multi CAS
No
Molecular Formula
C10H12O3
Molecular Weight
180.200000
Exact Mass
180.078644
InChI
InChI=1S/C10H12O3/c1-12-9-4-2-3-7-5-8(11)6-13-10(7)9/h2-4,8,11H,5-6H2,1H3
InChIKey
HGANUJBWBUOMBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.2
TPSA
38.69

LogP / Solubility

WLOGP
0.99
MLOGP
0.87
XLogP3
1.3
Consensus LogP
1.05
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-3.12

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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