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CAS 108238-41-1 3,6-Dihydroxyflavone molecular structure lightbox
CAS RN: 108238-41-1

3,6-Dihydroxyflavone

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260117 100mg In stock Shanghai Inquiry
Batchno.20251201 1g In stock Shanghai Inquiry
Batchno.20250329 1g In stock Shanghai Inquiry
Batchno.20250629 200mg In stock Shanghai, Shandong Inquiry
Batchno.20251003 250mg In stock Shanghai Inquiry
Batchno.20250702 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: ICTD5191
  • Purity/Analytical Methods: >98.0%(HPLC)
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108238-41-1 / 3,6-dihydroxy-2-phenylchromen-4-one

3,6-Dihydroxyflavone | 3,6-dihydroxy-2-phenylchromen-4-one | DTXSID90350940

Standard CAS: 108238-41-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108238-41-1
Multi CAS
Yes
Molecular Formula
C15H10O4
Molecular Weight
254.240000
Exact Mass
254.057909
SMILES
C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)O)O
InChI
InChI=1S/C15H10O4/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,16,18H
InChIKey
XHLOLFKZCUCROE-UHFFFAOYSA-N
Synonyms
3,6-Dihydroxyflavone 3,6-dihydroxy-2-phenylchromen-4-one DTXSID90350940 RefChem:487574 DTXCID10302007

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
71.25
TPSA
70.67

LogP / Solubility

WLOGP
2.87
MLOGP
2.53
XLogP3
3
Consensus LogP
2.8
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
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)
-2.23

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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