CAS RN: 2091531-88-1
Carbamic acid, N-(1-cyano-3-hydroxycyclobutyl)-, 1,1-dimethylethyl ester
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.20260502 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-098749
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 | Hong Kong | Inquiry |
2091531-88-1 / tert-butyl N-(1-cyano-3-hydroxycyclobutyl)carbamate
Basic Information
CAS
2091531-88-1
Multi CAS
No
Molecular Formula
C10H16N2O3
Molecular Weight
212.250000
Exact Mass
212.116092
SMILES
CC(C)(C)OC(=O)NC1(CC(C1)O)C#N
InChI
InChI=1S/C10H16N2O3/c1-9(2,3)15-8(14)12-10(6-11)4-7(13)5-10/h7,13H,4-5H2,1-3H3,(H,12,14)
InChIKey
XYQUGAVXYAGJAB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.95
TPSA
82.35
LogP / Solubility
WLOGP
0.93
MLOGP
0.82
XLogP3
0.4
Consensus LogP
0.72
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
7-Bromo-2-methyl-1H-benzoimidazole-5-carboxylic acid methyl ester
- CAS RN: 2091562-05-7
- Product Code: SSC-098755
-
Methyl 2-(6-Bromobenzofuran-3(2H)-ylidene)acetate
- CAS RN: 2091562-32-0
- Product Code: SSC-098756
-
-
2,2-dibromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
- CAS RN: 2091625-61-3
- Product Code: starshine_CAS2091625-61-3
- Purity/Analytical method: >99.0%
-
1-(Bromomethyl)-1-(trifluoromethyl)cyclopentane
- CAS RN: 2091636-18-7
- Product Code: starshine_CAS2091636-18-7
- Purity/Analytical method: >99.0%
-
3-bromo-1,2-difluoro-4-methyl-5-nitrobenzene(WXFC0859)
- CAS RN: 2091666-21-4
- Product Code: SSC-098789
