![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)
CAS RN: 728-61-0
(R,10E)-4,8,9,12-Tetrahydro-3,11-dimethyl-6H-4,7-methenofuro[3,2-c]oxacycloundecin-6-one
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.20260202 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260603 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260323 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250930 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250128 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260211 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251029 | 20mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS728-61-0
- Purity/Analytical Methods: >99.0%
728-61-0 / (1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,8,12(15)-tetraen-13-one
Basic Information
CAS
728-61-0
Multi CAS
Yes
Molecular Formula
C15H16O3
Molecular Weight
244.280000
Exact Mass
244.109944
InChI
InChI=1S/C15H16O3/c1-9-4-3-5-11-7-13(18-15(11)16)14-10(2)8-17-12(14)6-9/h4,7-8,13H,3,5-6H2,1-2H3/t13-/m1/s1
InChIKey
LWCKQMHMTSRRAA-CYBMUJFWSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
3
Molar refractivity
67.06
TPSA
39.44
LogP / Solubility
WLOGP
3.39
MLOGP
2.99
XLogP3
2.7
Consensus LogP
3.03
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-1.8
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
5.5
Customers Also Viewed
-
-
-
-
-
2′-NITROBENZANILIDE
- CAS RN: 728-90-5
- Product Code: starshine_CAS728-90-5
- Purity/Analytical method: >99.0%
-
