![CAS 2755812-45-2 (1R,2S,5S)-3-((S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2755812-45-2.gif)
CAS RN: 2755812-45-2
(1R,2S,5S)-3-((S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250830 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: SSC-127108
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2755812-45-2 / (1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
Basic Information
CAS
2755812-45-2
Multi CAS
Yes
Molecular Formula
C16F3H23N2O4
Molecular Weight
364.360000
Exact Mass
364.160992
InChI
InChI=1S/C16H23F3N2O4/c1-14(2,3)10(20-13(25)16(17,18)19)11(22)21-6-7-8(15(7,4)5)9(21)12(23)24/h7-10H,6H2,1-5H3,(H,20,25)(H,23,24)/t7-,8-,9-,10+/m0/s1
InChIKey
JDMCUFJAHAVBLQ-AATLWQCWSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.81
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
81.34
TPSA
86.71
LogP / Solubility
WLOGP
1.65
MLOGP
1.47
XLogP3
2.8
Consensus LogP
1.97
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly 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)
-3.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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