![CAS 1251016-59-7 2,6-Diazatricyclo[3.3.1.13,7]decane-2-carboxylic acid, 1,1-diMethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251016-59-7.gif)
CAS RN: 1251016-59-7
2,6-Diazatricyclo[3.3.1.13,7]decane-2-carboxylic acid, 1,1-diMethylethyl ester
- Product code: SSC-029735
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1251016-59-7 / tert-butyl 2,6-diazatricyclo[3.3.1.13,7]decane-2-carboxylate
Basic Information
CAS
1251016-59-7
Multi CAS
No
Molecular Formula
C13H22N2O2
Molecular Weight
238.330000
Exact Mass
238.168128
SMILES
CC(C)(C)OC(=O)N1C2CC3CC1CC(C2)N3
InChI
InChI=1S/C13H22N2O2/c1-13(2,3)17-12(16)15-10-4-8-5-11(15)7-9(6-10)14-8/h8-11,14H,4-7H2,1-3H3
InChIKey
LHHNQYJCOKFOAC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.83
TPSA
41.57
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
1.7
Consensus LogP
1.75
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately 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)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
Customers Also Viewed
-
![CAS 1251016-63-3 3,4,6,7-Tetrahydro-[1,2,3]triazolo[4,5-c]pyridine-5-carboxylic acid tert-butyl ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
3,4,6,7-Tetrahydro-[1,2,3]triazolo[4,5-c]pyridine-5-carboxylic acid tert-butyl ester
- CAS RN: 1251016-63-3
- Product Code: SSC-029736
-
4-Chloro-[1,2,4]Triazolo[4,3-A]Quinoxaline-1-Carboxylic Acid Ethyl Ester
- CAS RN: 1251017-01-2
- Product Code: starshine_CAS1251017-01-2
- Purity/Analytical method: >99.0%
-
trans-1,3,3a,4,5,9b-Hexahydro-pyrrolo[3,4-c]quinoline-2-carboxylic acid tert-butyl ester
- CAS RN: 1251017-31-8
- Product Code: starshine_CAS1251017-31-8
- Purity/Analytical method: >99.0%
-
5-Hydroxymethyl-5,6-Dihydro-4H,8H-1,3A,7-Triaza-Azulene-7-Carboxylic Acid Tert-Butyl Ester(WX140186)
- CAS RN: 1251017-49-8
- Product Code: starshine_CAS1251017-49-8
- Purity/Analytical method: >99.0%
-
7,8-Dihydro-4H,6H-1,5,8A-Triaza-Azulene-5,7-Dicarboxylic Acid 5-Tert-Butyl Ester(WX140191)
- CAS RN: 1251017-61-4
- Product Code: starshine_CAS1251017-61-4
- Purity/Analytical method: >99.0%
-
3,6-Diaza-bicyclo[3.1.1]heptane-3-carboxylic acid tert-butyl ester
- CAS RN: 1251017-66-9
- Product Code: SSC-029738
![CAS 1251016-63-3 3,4,6,7-Tetrahydro-[1,2,3]triazolo[4,5-c]pyridine-5-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251016-63-3.gif)
![CAS 1251017-01-2 4-Chloro-[1,2,4]Triazolo[4,3-A]Quinoxaline-1-Carboxylic Acid Ethyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251017-01-2.gif)
![CAS 1251017-31-8 trans-1,3,3a,4,5,9b-Hexahydro-pyrrolo[3,4-c]quinoline-2-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251017-31-8.gif)
![CAS 1251017-66-9 3,6-Diaza-bicyclo[3.1.1]heptane-3-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251017-66-9.gif)