CAS RN: 847417-37-2
cis-4-(Boc-aMino)cyclohexaneacetaldehyde
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.20260128 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-192301
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 |
847417-37-2 / tert-butyl N-[4-(2-oxoethyl)cyclohexyl]carbamate
Basic Information
CAS
847417-37-2
Multi CAS
Yes
Molecular Formula
C13H23NO3
Molecular Weight
241.330000
Exact Mass
241.167794
InChI
InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11-6-4-10(5-7-11)8-9-15/h9-11H,4-8H2,1-3H3,(H,14,16)
InChIKey
OPGBSEXLSWYFOR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.8
TPSA
55.4
LogP / Solubility
WLOGP
2.66
MLOGP
2.34
XLogP3
1.9
Consensus LogP
2.3
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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