CAS RN: 1392745-15-1
(1R,3S,4R)-4-(Boc-amino)-3-hydroxy-cyclohexane-carboxylic acid ethyl 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.20251205 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-049704
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 | Shanghai | Inquiry |
1392745-15-1 / ethyl (1R,3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
Basic Information
CAS
1392745-15-1
Multi CAS
No
Molecular Formula
C14H25NO5
Molecular Weight
287.350000
Exact Mass
287.173273
SMILES
CCOC(=O)[C@@H]1CC[C@H]([C@H](C1)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO5/c1-5-19-12(17)9-6-7-10(11(16)8-9)15-13(18)20-14(2,3)4/h9-11,16H,5-8H2,1-4H3,(H,15,18)/t9-,10-,11+/m1/s1
InChIKey
JOOLXBLTNBWCNP-MXWKQRLJSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
73.14
TPSA
84.86
LogP / Solubility
WLOGP
1.6
MLOGP
1.42
XLogP3
1.4
Consensus LogP
1.47
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 1392745-47-9 Ethyl (1S,3R,4R)4{[(tertbutoxy)carbonyl]aMino}3hydroxycyclohexane1carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1392745-47-9.gif)
![CAS 1392745-59-3 ethyl (1S,3R,4R)-4-amino-3-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1392745-59-3.gif)
