CAS RN: 1006683-97-1
3,8,9,10-tetrahydroxy urolithin
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250515 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1006683-97-1
- Purity/Analytical Methods: >99.0%
1006683-97-1 / 3,8,9,10-tetrahydroxybenzo[c]chromen-6-one
urolithin M6 | 3,8,9,10-tetrahydroxybenzo[c]chromen-6-one | 3,8,9,10-tetrahydroxybenzo(c)chromen-6-one
Basic Information
CAS
1006683-97-1
Multi CAS
No
Molecular Formula
C13H8O6
Molecular Weight
260.200000
Exact Mass
260.032088
SMILES
C1=CC2=C(C=C1O)OC(=O)C3=CC(=C(C(=C23)O)O)O
InChI
InChI=1S/C13H8O6/c14-5-1-2-6-9(3-5)19-13(18)7-4-8(15)11(16)12(17)10(6)7/h1-4,14-17H
InChIKey
LGXFTZDSEIQMMP-UHFFFAOYSA-N
Synonyms
urolithin M6
3,8,9,10-tetrahydroxybenzo[c]chromen-6-one
3,8,9,10-tetrahydroxybenzo(c)chromen-6-one
RefChem:1100850
3,8,9,10-Tetrahydroxy-6H-benzo[c]chromen-6-one
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
14
H-bond acceptors
6
H-bond donors
4
Molar refractivity
66.65
TPSA
111.13
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
1.6
Consensus LogP
1.64
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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