![CAS 1263180-38-6 tert-butyl 9,9-difluoro-2,7-diazaspiro[4.5]decane-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1263180-38-6.gif)
CAS RN: 1263180-38-6
tert-butyl 9,9-difluoro-2,7-diazaspiro[4.5]decane-7-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260508 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1263180-38-6
- Purity/Analytical Methods: >99.0%
1263180-38-6 / tert-butyl 9,9-difluoro-2,7-diazaspiro[4.5]decane-7-carboxylate
Basic Information
CAS
1263180-38-6
Multi CAS
No
Molecular Formula
C13H22F2N2O2
Molecular Weight
276.320000
Exact Mass
276.164934
SMILES
CC(C)(C)OC(=O)N1CC2(CCNC2)CC(C1)(F)F
InChI
InChI=1S/C13H22F2N2O2/c1-11(2,3)19-10(18)17-8-12(4-5-16-7-12)6-13(14,15)9-17/h16H,4-9H2,1-3H3
InChIKey
QPRMAYYTQKKTQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.29
TPSA
41.57
LogP / Solubility
WLOGP
2.24
MLOGP
1.98
XLogP3
1.7
Consensus LogP
1.97
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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