CAS RN: 156699-39-7
(S)-Tetrahydropyridazine-1,2,3-tricarboxylic acid 1,2-di-tert-butyl ester
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260527 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260503 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250501 | 1g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20260310 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251213 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20251211 | 25g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250713 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260328 | 5g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
- Product code: SSC-065828
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: 1g, 5g, 10g, 25g, 100g
- Available purity: >95%
- Inventory rows with stock: 3
- 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 |
|---|---|---|---|---|
| 1g | >95% | 5 In Stock | Shanghai | Inquiry |
| 5g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 1 In Stock | Beijing | Inquiry |
| 25g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | >95% | 0 Out of Stock | Shanghai | Inquiry |
156699-39-7 / (3S)-1,2-bis[(2-methylpropan-2-yl)oxycarbonyl]diazinane-3-carboxylic acid
Basic Information
CAS
156699-39-7
Multi CAS
No
Molecular Formula
C15H26N2O6
Molecular Weight
330.380000
Exact Mass
330.179087
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](N1C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)16-9-7-8-10(11(18)19)17(16)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)/t10-/m0/s1
InChIKey
MLXHSDCSBUGOLZ-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
81.67
TPSA
96.38
LogP / Solubility
WLOGP
2.62
MLOGP
2.32
XLogP3
2.3
Consensus LogP
2.41
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly 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)
-2.87
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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