CAS RN: 16966-07-7
Z-Thr(tBu)-OH.DCHA
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250711 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-074246
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 25g, 1g, 5g, 100g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥95% | 4 In Stock | Shanghai | Inquiry |
| 1g | ≥95% | 3 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 100g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 1 In Stock | Shanghai | Inquiry |
16966-07-7 / N-cyclohexylcyclohexanamine;(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoic acid
Basic Information
CAS
16966-07-7
Multi CAS
No
Molecular Formula
C28H46N2O5
Molecular Weight
490.700000
Exact Mass
490.340673
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C16H23NO5.C12H23N/c1-11(22-16(2,3)4)13(14(18)19)17-15(20)21-10-12-8-6-5-7-9-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-9,11,13H,10H2,1-4H3,(H,17,20)(H,18,19);11-13H,1-10H2/t11-,13+;/m1./s1
InChIKey
STGGZKHUOOUVBV-YLAFAASESA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
3
Molar refractivity
138.37
TPSA
96.89
LogP / Solubility
WLOGP
5.81
MLOGP
5.15
XLogP3
5.81
Consensus LogP
5.59
Log S (ESOL)
-6.14
Class (ESOL)
Insoluble
Log S (Ali)
-7.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.63
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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