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CAS 70786-48-0 4H-1-Benzopyran-4-one, 5-hydroxy-3,7-dimethoxy-2-phenyl- molecular structure lightbox
CAS RN: 70786-48-0

4H-1-Benzopyran-4-one, 5-hydroxy-3,7-dimethoxy-2-phenyl-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260330 1mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS70786-48-0
  • Purity/Analytical Methods: >99.0%
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70786-48-0 / 5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one

Standard CAS: 70786-48-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70786-48-0
Multi CAS
No
Molecular Formula
C17H14O5
Molecular Weight
298.290000
Exact Mass
298.084124
InChI
InChI=1S/C17H14O5/c1-20-11-8-12(18)14-13(9-11)22-16(17(21-2)15(14)19)10-6-4-3-5-7-10/h3-9,18H,1-2H3
InChIKey
OYCOUDKDRFJOCP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
82.69
TPSA
68.9

LogP / Solubility

WLOGP
3.18
MLOGP
2.81
XLogP3
3.5
Consensus LogP
3.16
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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