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CAS 62949-77-3 5,7-Dihydroxy-2-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one molecular structure lightbox
CAS RN: 62949-77-3

5,7-Dihydroxy-2-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one

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5 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260619 2mg / 5mg Out of stock 5-7 business days Inquiry
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Batchno.20250428 10mg Out of stock Inquiry
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Batchno.20250102 2mg In stock Shanghai Inquiry
Batchno.20250506 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS62949-77-3
  • Purity/Analytical Methods: >99.0%
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62949-77-3 / 5,7-dihydroxy-2-(5-hydroxy-2,2-dimethylchromen-8-yl)-3-(3-methylbut-2-enyl)chromen-4-one

Standard CAS: 62949-77-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62949-77-3
Multi CAS
No
Molecular Formula
C25H24O6
Molecular Weight
420.500000
Exact Mass
420.157288
InChI
InChI=1S/C25H24O6/c1-13(2)5-6-16-22(29)21-19(28)11-14(26)12-20(21)30-23(16)17-7-8-18(27)15-9-10-25(3,4)31-24(15)17/h5,7-12,26-28H,6H2,1-4H3
InChIKey
DBUNRZUFILGKHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
3
Molar refractivity
119.79
TPSA
100.13

LogP / Solubility

WLOGP
5.27
MLOGP
4.66
XLogP3
5.5
Consensus LogP
5.14
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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