![CAS 1251011-09-2 2,6-Diaza-Spiro[3.4]Octane-2,6,8-Tricarboxylic Acid 6-Benzyl Ester 2-Tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251011-09-2.gif)
CAS RN: 1251011-09-2
2,6-Diaza-Spiro[3.4]Octane-2,6,8-Tricarboxylic Acid 6-Benzyl Ester 2-Tert-Butyl 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.20260213 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-029720
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: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 2
- 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.
1251011-09-2 / 2-[(2-methylpropan-2-yl)oxycarbonyl]-7-phenylmethoxycarbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid
Basic Information
CAS
1251011-09-2
Multi CAS
No
Molecular Formula
C20H26N2O6
Molecular Weight
390.400000
Exact Mass
390.179087
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CN(CC2C(=O)O)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C20H26N2O6/c1-19(2,3)28-18(26)22-12-20(13-22)11-21(9-15(20)16(23)24)17(25)27-10-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,23,24)
InChIKey
JEJZCYLNCZVMPL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
99.57
TPSA
96.38
LogP / Solubility
WLOGP
2.58
MLOGP
2.29
XLogP3
1.7
Consensus LogP
2.19
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
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
Yes
Log Kp (skin permeation)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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