![CAS 934665-56-2 1-Piperidinecarboxylic acid, 2-[1-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)aMino]benzoyl]-3-hydroxy-3-azetidinyl]-, 1,1-diMethylethyl ester, (2R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/934665-56-2.gif)
CAS RN: 934665-56-2
1-Piperidinecarboxylic acid, 2-[1-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)aMino]benzoyl]-3-hydroxy-3-azetidinyl]-, 1,1-diMethylethyl ester, (2R)-
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.20260526 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS934665-56-2
- Purity/Analytical Methods: >99.0%
934665-56-2 / tert-butyl (2R)-2-[1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]-3-hydroxyazetidin-3-yl]piperidine-1-carboxylate
Basic Information
CAS
934665-56-2
Multi CAS
Yes
Molecular Formula
C26F3H29In3O4
Molecular Weight
631.400000
Exact Mass
631.115490
InChI
InChI=1S/C26H29F3IN3O4/c1-25(2,3)37-24(35)33-11-5-4-6-20(33)26(36)13-32(14-26)23(34)16-8-9-17(27)21(29)22(16)31-19-10-7-15(30)12-18(19)28/h7-10,12,20,31,36H,4-6,11,13-14H2,1-3H3/t20-/m1/s1
InChIKey
MBDPIJDSBJZNGV-HXUWFJFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
140.19
TPSA
82.11
LogP / Solubility
WLOGP
5.43
MLOGP
4.83
XLogP3
5.2
Consensus LogP
5.15
Log S (ESOL)
-7.15
Class (ESOL)
Insoluble
Log S (Ali)
-8.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.75
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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![CAS 934705-43-8 3,4-a’]dinaphthalen-4-yl)[(1R)-1-phenylethyl]-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/934705-43-8.gif)
