![CAS 1206821-43-3 tert-butyl 8-(3,5-difluorophenyl)-9-(2-ethoxy-2-oxoethyl)-10-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1206821-43-3.gif)
CAS RN: 1206821-43-3
tert-butyl 8-(3,5-difluorophenyl)-9-(2-ethoxy-2-oxoethyl)-10-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260330 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1206821-43-3
- Purity/Analytical Methods: >99.0%
1206821-43-3 / tert-butyl 8-(3,5-difluorophenyl)-9-(2-ethoxy-2-oxoethyl)-10-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate
tert-Butyl 8-(3,5-difluorophenyl)-9-(2-ethoxy-2-oxoethyl)-10-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate | tert-butyl 8-(3,5-difluorophenyl)-9-(2-ethoxy-2-oxoethyl)-10-oxo-6,9-diazaspiro[4.5]decane-6-carboxy | C23H30F2N2O5
Basic Information
CAS
1206821-43-3
Multi CAS
No
Molecular Formula
C23H30F2N2O5
Molecular Weight
452.500000
Exact Mass
452.212278
SMILES
CCOC(=O)CN1C(CN(C2(C1=O)CCCC2)C(=O)OC(C)(C)C)C3=CC(=CC(=C3)F)F
InChI
InChI=1S/C23H30F2N2O5/c1-5-31-19(28)14-26-18(15-10-16(24)12-17(25)11-15)13-27(21(30)32-22(2,3)4)23(20(26)29)8-6-7-9-23/h10-12,18H,5-9,13-14H2,1-4H3
InChIKey
ZOFJVJZCVFSUNT-UHFFFAOYSA-N
Synonyms
tert-Butyl 8-(3,5-difluorophenyl)-9-(2-ethoxy-2-oxoethyl)-10-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate
tert-butyl 8-(3,5-difluorophenyl)-9-(2-ethoxy-2-oxoethyl)-10-oxo-6,9-diazaspiro[4.5]decane-6-carboxy
C23H30F2N2O5
CS-M0155
MFCD18206992
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
111.58
TPSA
76.15
LogP / Solubility
WLOGP
3.96
MLOGP
3.52
XLogP3
3.5
Consensus LogP
3.66
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.37
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.67
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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