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CAS 480-47-7 hydrangenol molecular structure lightbox
CAS RN: 480-47-7

hydrangenol

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250607 100mg In stock Shanghai Inquiry
Batchno.20250411 10mg In stock Shanghai Inquiry
Batchno.20260112 250mg In stock Shanghai Inquiry
Batchno.20260114 25mg In stock Shanghai Inquiry
Batchno.20251116 50mg In stock Shanghai Inquiry
Batchno.20250127 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS480-47-7
  • Purity/Analytical Methods: >99.0%
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480-47-7 / 8-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one

Standard CAS: 480-47-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
480-47-7
Multi CAS
Yes
Molecular Formula
C15H12O4
Molecular Weight
256.250000
Exact Mass
256.073559
InChI
InChI=1S/C15H12O4/c16-11-6-4-9(5-7-11)13-8-10-2-1-3-12(17)14(10)15(18)19-13/h1-7,13,16-17H,8H2
InChIKey
DGKDFNDHPXVXHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.07
TPSA
66.76

LogP / Solubility

WLOGP
2.55
MLOGP
2.25
XLogP3
3.2
Consensus LogP
2.67
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly 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)
-2.47

Drug-likeness / Medicinal Chemistry

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

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