CAS RN: 2230472-61-2
Fmoc-(S)-2-amino-6,6,6-triflurohexanoic acid
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.20260519 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-108611
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: 0.1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 0.1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2230472-61-2 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6,6,6-trifluorohexanoic acid
Basic Information
CAS
2230472-61-2
Multi CAS
No
Molecular Formula
C21H20F3NO4
Molecular Weight
407.400000
Exact Mass
407.134443
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCCC(F)(F)F)C(=O)O
InChI
InChI=1S/C21H20F3NO4/c22-21(23,24)11-5-10-18(19(26)27)25-20(28)29-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,25,28)(H,26,27)/t18-/m0/s1
InChIKey
RVXLFAQYYCBCAT-SFHVURJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
99.53
TPSA
75.63
LogP / Solubility
WLOGP
4.71
MLOGP
4.17
XLogP3
4.9
Consensus LogP
4.59
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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