CAS RN: 727-81-1
COENZYME Q1
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250729 | 100μL | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251201 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250418 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260203 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251002 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260409 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250516 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS727-81-1
- Purity/Analytical Methods: >99.0%
727-81-1 / 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
Basic Information
CAS
727-81-1
Multi CAS
No
Molecular Formula
C14H18O4
Molecular Weight
250.290000
Exact Mass
250.120509
InChI
InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3
InChIKey
SOECUQMRSRVZQQ-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
67.81
TPSA
52.6
LogP / Solubility
WLOGP
2.32
MLOGP
2.04
XLogP3
2.8
Consensus LogP
2.39
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
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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(R,10E)-4,8,9,12-Tetrahydro-3,11-dimethyl-6H-4,7-methenofuro[3,2-c]oxacycloundecin-6-one
- CAS RN: 728-61-0
- Product Code: starshine_CAS728-61-0
- Purity/Analytical method: >99.0%
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![CAS 728-61-0 (R,10E)-4,8,9,12-Tetrahydro-3,11-dimethyl-6H-4,7-methenofuro[3,2-c]oxacycloundecin-6-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/728-61-0.gif)
