![CAS 1352926-14-7 Tert-butyl 6-benzyl-2,6-diazaspiro[3.4]octane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1352926-14-7.gif)
CAS RN: 1352926-14-7
Tert-butyl 6-benzyl-2,6-diazaspiro[3.4]octane-2-carboxylate
- Product code: SSC-043462
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 | Shenzhen | Inquiry |
1352926-14-7 / tert-butyl 7-benzyl-2,7-diazaspiro[3.4]octane-2-carboxylate
Basic Information
CAS
1352926-14-7
Multi CAS
No
Molecular Formula
C18H26N2O2
Molecular Weight
302.400000
Exact Mass
302.199428
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CCN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-13-18(14-20)9-10-19(12-18)11-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKey
QMZPXBYNTVDLSX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
86.58
TPSA
32.78
LogP / Solubility
WLOGP
3.13
MLOGP
2.77
XLogP3
2.7
Consensus LogP
2.87
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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)
-2.34
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
-
-
-
“3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(8α,9S)-10,11-dihydro-6′-Methoxycinchonan-9-yl]aMino]-3-Cyclobutene-1,2-dione”
- CAS RN: 1352957-59-5
- Product Code: starshine_CAS1352957-59-5
- Purity/Analytical method: >99.0%
-
tert-butyl ((1-aMinocyclohexyl)Methyl)carbaMate
- CAS RN: 1352999-04-2
- Product Code: SSC-043471
-
3-Fluoro-5-(trifluoroMethoxy)benzonitrile
- CAS RN: 1352999-93-9
- Product Code: starshine_CAS1352999-93-9
- Purity/Analytical method: >99.0%
-
![CAS 1352957-59-5 “3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(8α,9S)-10,11-dihydro-6′-Methoxycinchonan-9-yl]aMino]-3-Cyclobutene-1,2-dione” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1352957-59-5.gif)
.gif)
.gif)