CAS RN: 1228182-67-9
1-N-Boc-1,9-diazaspiro[5….
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.20250516 | 1g / 5g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1228182-67-9
- Purity/Analytical Methods: >99.0%
1228182-67-9 / tert-butyl 1,9-diazaspiro[5.5]undecane-1-carboxylate;hydrochloride
Basic Information
CAS
1228182-67-9
Multi CAS
No
Molecular Formula
C14H27ClN2O2
Molecular Weight
290.830000
Exact Mass
290.176106
SMILES
CC(C)(C)OC(=O)N1CCCCC12CCNCC2.Cl
InChI
InChI=1S/C14H26N2O2.ClH/c1-13(2,3)18-12(17)16-11-5-4-6-14(16)7-9-15-10-8-14;/h15H,4-11H2,1-3H3;1H
InChIKey
CWLCIVYAURTITJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
78.87
TPSA
41.57
LogP / Solubility
WLOGP
2.95
MLOGP
2.61
XLogP3
2.95
Consensus LogP
2.84
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
3-Methoxy-4-(Morpholin-4-yl)phenylboronic acid
- CAS RN: 1228182-92-0
- Product Code: SSC-026337
-
B-[3-(4-acetyl-1-piperazinyl)phenyl]Boronic acid
- CAS RN: 1228182-95-3
- Product Code: SSC-026338
-
-
-
tert-Butyl 3-iodo-5-(trifluoromethyl)-1H-pyrrolo-[2,3-b]pyridine-1-carboxylate
- CAS RN: 1228183-72-9
- Product Code: starshine_CAS1228183-72-9
- Purity/Analytical method: >99.0%
-
1-{2-[4-(4-Methoxybenzoyloxy)phenyl]ethyl}-2-(4-trifluoromethylbenzoylamino)-1H-benzoimidazole-5-carboxylic acid hydrate
- CAS RN: 1228184-65-3
- Product Code: starshine_CAS1228184-65-3
- Purity/Analytical method: >99.0%
![CAS 1228182-95-3 B-[3-(4-acetyl-1-piperazinyl)phenyl]Boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228182-95-3.gif)
![CAS 1228183-01-4 4-[(1-IMidazolyl)Methyl]phenylboronic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228183-01-4.gif)
![CAS 1228183-22-9 1H-Benzo[d]imidazol-6-ylboronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228183-22-9.gif)
![CAS 1228183-72-9 tert-Butyl 3-iodo-5-(trifluoromethyl)-1H-pyrrolo-[2,3-b]pyridine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228183-72-9.gif)
![CAS 1228184-65-3 1-{2-[4-(4-Methoxybenzoyloxy)phenyl]ethyl}-2-(4-trifluoromethylbenzoylamino)-1H-benzoimidazole-5-carboxylic acid hydrate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228184-65-3.gif)