![CAS 1707369-78-5 tert-Butyl2-(2-methoxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylat molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1707369-78-5.gif)
CAS RN: 1707369-78-5
tert-Butyl2-(2-methoxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylat
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260122 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1707369-78-5
- Purity/Analytical Methods: >99.0%
1707369-78-5 / tert-butyl 2-(2-methoxyphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
Basic Information
CAS
1707369-78-5
Multi CAS
No
Molecular Formula
C19H25N3O4
Molecular Weight
359.400000
Exact Mass
359.184506
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC(=N2)C3=CC=CC=C3OC
InChI
InChI=1S/C19H25N3O4/c1-18(2,3)26-17(24)22-11-9-19(10-12-22)16(23)20-15(21-19)13-7-5-6-8-14(13)25-4/h5-8H,9-12H2,1-4H3,(H,20,21,23)
InChIKey
LWDSZRGARCWGRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
97.45
TPSA
80.23
LogP / Solubility
WLOGP
2.34
MLOGP
2.08
XLogP3
2.1
Consensus LogP
2.17
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
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)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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