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CAS 14103-09-4 1-Hydroxy-2,3,4,7-tetramethoxyxanthone molecular structure lightbox
CAS RN: 14103-09-4

1-Hydroxy-2,3,4,7-tetramethoxyxanthone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260422 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS14103-09-4
  • Purity/Analytical Methods: >99.0%
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14103-09-4 / 1-hydroxy-2,3,4,7-tetramethoxyxanthen-9-one

Standard CAS: 14103-09-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14103-09-4
Multi CAS
No
Molecular Formula
C17H16O7
Molecular Weight
332.300000
Exact Mass
332.089603
SMILES
COC1=CC2=C(C=C1)OC3=C(C(=C(C(=C3C2=O)O)OC)OC)OC
InChI
InChI=1S/C17H16O7/c1-20-8-5-6-10-9(7-8)12(18)11-13(19)15(21-2)17(23-4)16(22-3)14(11)24-10/h5-7,19H,1-4H3
InChIKey
MIPXRVRWIMVNPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
14
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
87.86
TPSA
87.36

LogP / Solubility

WLOGP
2.69
MLOGP
2.38
XLogP3
3
Consensus LogP
2.69
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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