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CAS 16265-56-8 J167.440D1,5-Dihydroxy-6′,6′-dimethylpyrano[2′,3′:3,2]xanthone molecular structure lightbox
CAS RN: 16265-56-8

J167.440D1,5-Dihydroxy-6′,6′-dimethylpyrano[2′,3′:3,2]xanthone

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250325 1mg Out of stock Inquiry
Batchno.20260417 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS16265-56-8
  • Purity/Analytical Methods: >99.0%
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16265-56-8 / 5,10-dihydroxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one

Standard CAS: 16265-56-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16265-56-8
Multi CAS
No
Molecular Formula
C18H14O5
Molecular Weight
310.300000
Exact Mass
310.084124
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C(=CC=C4)O)C
InChI
InChI=1S/C18H14O5/c1-18(2)7-6-9-12(23-18)8-13-14(15(9)20)16(21)10-4-3-5-11(19)17(10)22-13/h3-8,19-20H,1-2H3
InChIKey
NHNIESSJWQBRJW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
14
Fraction Csp3
0.17
H-bond acceptors
5
H-bond donors
2
Molar refractivity
87.06
TPSA
79.9

LogP / Solubility

WLOGP
3.54
MLOGP
3.13
XLogP3
3.7
Consensus LogP
3.46
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1

Drug-likeness / Medicinal Chemistry

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

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