CAS RN: 223131-01-9
TERT-BUTYL CIS-(4-HYDROXYMETHYL)CYCLOHEXYLCARBAMATE
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251124 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250622 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250922 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260116 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250629 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20251223 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250716 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: SSC-108742
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, 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.
223131-01-9 / tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate
Basic Information
CAS
223131-01-9
Multi CAS
No
Molecular Formula
C12H23NO3
Molecular Weight
229.320000
Exact Mass
229.167794
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)CO
InChI
InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h9-10,14H,4-8H2,1-3H3,(H,13,15)
InChIKey
SGNKPJPMWHKOJO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.2
TPSA
58.56
LogP / Solubility
WLOGP
2.06
MLOGP
1.82
XLogP3
1.8
Consensus LogP
1.89
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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