![CAS 1433194-62-7 di-tert-butyl 2,7-diazaspiro[4.4]nonane-2,7-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1433194-62-7.gif)
CAS RN: 1433194-62-7
di-tert-butyl 2,7-diazaspiro[4.4]nonane-2,7-dicarboxylate
- Product code: SSC-054710
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1433194-62-7 / ditert-butyl 2,7-diazaspiro[4.4]nonane-2,7-dicarboxylate
Basic Information
CAS
1433194-62-7
Multi CAS
No
Molecular Formula
C17H30N2O4
Molecular Weight
326.400000
Exact Mass
326.220557
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H30N2O4/c1-15(2,3)22-13(20)18-9-7-17(11-18)8-10-19(12-17)14(21)23-16(4,5)6/h7-12H2,1-6H3
InChIKey
KLDVWTLOJCCOFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
87.28
TPSA
59.08
LogP / Solubility
WLOGP
3.25
MLOGP
2.88
XLogP3
2.4
Consensus LogP
2.84
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
8-chloro-2-(2-(quinolin-2-yl)ethyl)phthalazin-1(2H)-one
- CAS RN: 1433204-04-6
- Product Code: starshine_CAS1433204-04-6
- Purity/Analytical method: >99.0%
-
methyl 4-bromo-3-chloro-5-(trifluoromethoxy)benzoate
- CAS RN: 1433280-61-5
- Product Code: SSC-054727
-
CREB inhibitor (666-15)
- CAS RN: 1433286-70-4
- Product Code: starshine_CAS1433286-70-4
- Purity/Analytical method: >99.0%
-
(R)-4,4-difluoropyrrolidin-3-ol hydrochloride
- CAS RN: 1433363-34-8
- Product Code: starshine_CAS1433363-34-8
- Purity/Analytical method: >99.0%
-
LY2955303
- CAS RN: 1433497-19-8
- Product Code: starshine_CAS1433497-19-8
- Purity/Analytical method: >99.0%
-
8-Bromo-6-chloro-[1,2,4]triazolo[1,5-a]pyridine
- CAS RN: 1433822-19-5
- Product Code: SSC-054758
.gif)
![CAS 1433822-19-5 8-Bromo-6-chloro-[1,2,4]triazolo[1,5-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1433822-19-5.gif)