![CAS 2098564-18-0 tert-butyl ((3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl)carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2098564-18-0.png)
CAS RN: 2098564-18-0
tert-butyl ((3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl)carbamate
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.20250810 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2098564-18-0
- Purity/Analytical Methods: >99.0%
2098564-18-0 / tert-butyl N-[(3S,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
Basic Information
CAS
2098564-18-0
Multi CAS
No
Molecular Formula
C14H26N2O3
Molecular Weight
270.370000
Exact Mass
270.194343
SMILES
C[C@H]1[C@H](C2(CCNCC2)CO1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H26N2O3/c1-10-11(16-12(17)19-13(2,3)4)14(9-18-10)5-7-15-8-6-14/h10-11,15H,5-9H2,1-4H3,(H,16,17)/t10-,11+/m0/s1
InChIKey
NAKXVJZOCXPVBD-WDEREUQCSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.11
TPSA
59.59
LogP / Solubility
WLOGP
1.67
MLOGP
1.48
XLogP3
1.2
Consensus LogP
1.45
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
Betrixaban d6
- CAS RN: 2098655-51-5
- Product Code: starshine_CAS2098655-51-5
- Purity/Analytical method: >99.0%
-
-
2-(6-Oxo-5,6-dihydro-cyclopenta[b]thiophen-4-ylidene)-malononitrile
- CAS RN: 2098784-70-2
- Product Code: SSC-099785
-
2-(2-Hydrazinyl-2-oxoethyl)isoquinolin-2-ium bromide
- CAS RN: 2098787-86-9
- Product Code: starshine_CAS2098787-86-9
- Purity/Analytical method: >99.0%
-
-
(2S,4R)-1-((S)-3,3-Dimethyl-2-(2-(prop-2-yn-1-yloxy)acetamido)butanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
- CAS RN: 2098799-78-9
- Product Code: starshine_CAS2098799-78-9
- Purity/Analytical method: >99.0%
![CAS 2098784-70-2 2-(6-Oxo-5,6-dihydro-cyclopenta[b]thiophen-4-ylidene)-malononitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2098784-70-2.png)
