CAS RN: 1703747-47-0
Gemfibrozil 1-O–Glucuronide-d6
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250620 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1703747-47-0
- Purity/Analytical Methods: >99.0%
1703747-47-0 / (2S,3S,4S,5R,6S)-6-[5-(2,5-dimethylphenoxy)-2,2-bis(trideuteriomethyl)pentanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Basic Information
CAS
1703747-47-0
Multi CAS
No
Molecular Formula
C21H30O9
Molecular Weight
432.500000
Exact Mass
432.226643
SMILES
[2H]C([2H])([2H])C(CCCOC1=C(C=CC(=C1)C)C)(C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C([2H])([2H])[2H]
InChI
InChI=1S/C21H30O9/c1-11-6-7-12(2)13(10-11)28-9-5-8-21(3,4)20(27)30-19-16(24)14(22)15(23)17(29-19)18(25)26/h6-7,10,14-17,19,22-24H,5,8-9H2,1-4H3,(H,25,26)/t14-,15-,16+,17-,19-/m0/s1/i3D3,4D3
InChIKey
CJMNXSKEVNPQOK-JAJJZQMZSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
4
Molar refractivity
104.84
TPSA
142.75
LogP / Solubility
WLOGP
0.92
MLOGP
0.84
XLogP3
2.2
Consensus LogP
1.32
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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