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CAS 2009-24-7 XANTHOTOXOL molecular structure lightbox
CAS RN: 2009-24-7

XANTHOTOXOL

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260320 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251023 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251230 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS2009-24-7
  • Purity/Analytical Methods: >99.0%
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2009-24-7 / 9-hydroxyfuro[3,2-g]chromen-7-one

Standard CAS: 2009-24-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
2009-24-7
Multi CAS
No
Molecular Formula
C11H6O4
Molecular Weight
202.160000
Exact Mass
202.026609
SMILES
C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O
InChI
InChI=1S/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H
InChIKey
JWVYQQGERKEAHW-UHFFFAOYSA-N

Physical Properties

Melting Point
251 - 252 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
13
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.92
TPSA
63.58

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
1.6
Consensus LogP
1.94
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately 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)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501

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