![CAS 116856-49-6 2,2-Dimethyltetrahydro-4,7-Methano[1,3]Dioxolo[4,5-C]Pyridin-6(3aH)-One(WXC03101) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/116856-49-6.gif)
CAS RN: 116856-49-6
2,2-Dimethyltetrahydro-4,7-Methano[1,3]Dioxolo[4,5-C]Pyridin-6(3aH)-One(WXC03101)
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.20260411 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS116856-49-6
- Purity/Analytical Methods: >99.0%
116856-49-6 / 4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.1.02,6]decan-9-one
2,2-Dimethyltetrahydro-4,7-methano[1,3]dioxolo[4,5-c]pyridin-6(3aH)-one | 4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.1.0,2,6]decan-9-one | 4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.1.02,6]decan-9-one
Basic Information
CAS
116856-49-6
Multi CAS
No
Molecular Formula
C9H13NO3
Molecular Weight
183.200000
Exact Mass
183.089543
SMILES
CC1(OC2C3CC(C2O1)NC3=O)C
InChI
InChI=1S/C9H13NO3/c1-9(2)12-6-4-3-5(7(6)13-9)10-8(4)11/h4-7H,3H2,1-2H3,(H,10,11)
InChIKey
CSGIROCFQXHTKS-UHFFFAOYSA-N
Synonyms
2,2-Dimethyltetrahydro-4,7-methano[1,3]dioxolo[4,5-c]pyridin-6(3aH)-one
4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.1.0,2,6]decan-9-one
4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.1.02,6]decan-9-one
SCHEMBL5034835
(+)-exo-cis-5,6-dimethylmethylenedioxy-2-azabicyclo[2.2.1]heptan-3-one
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.86
TPSA
47.56
LogP / Solubility
WLOGP
0.02
MLOGP
0.02
XLogP3
-0.2
Consensus LogP
-0.05
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.87
Class (SILICOS-IT)
Very 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)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
Customers Also Viewed
-
trans-4,5-Dichloro-4,5-diMethyl-1,3-dioxolan-2-one
- CAS RN: 116857-05-7
- Product Code: SSC-016736
-
-
-
6-CHLORO-7-NITRO-2H-1,4-BENZOXAZIN-3(4H)-ONE
- CAS RN: 116862-22-7
- Product Code: SSC-016740
-
Monohydroxyisoaflavinine
- CAS RN: 116865-09-9
- Product Code: starshine_CAS116865-09-9
- Purity/Analytical method: >99.0%
-
β-D-Allopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→6)]-, 3-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
- CAS RN: 116872-05-0
- Product Code: starshine_CAS116872-05-0
- Purity/Analytical method: >99.0%
![CAS 116872-05-0 β-D-Allopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→6)]-, 3-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/116872-05-0.gif)