CAS RN: 959580-94-0
FMOC-(S)-3-AMINO-4-(2,4,5-TRIFLUORO-PHENYL)-BUTYRIC 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.20251117 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-211691
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
959580-94-0 / (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(2,4,5-trifluorophenyl)butanoic acid
Basic Information
CAS
959580-94-0
Multi CAS
Yes
Molecular Formula
C25F3H20NO4
Molecular Weight
455.400000
Exact Mass
455.134443
InChI
InChI=1S/C25H20F3NO4/c26-21-12-23(28)22(27)10-14(21)9-15(11-24(30)31)29-25(32)33-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,10,12,15,20H,9,11,13H2,(H,29,32)(H,30,31)/t15-/m0/s1
InChIKey
FKTSFHXFCVESHF-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
114.27
TPSA
75.63
LogP / Solubility
WLOGP
5.03
MLOGP
4.46
XLogP3
4.9
Consensus LogP
4.8
Log S (ESOL)
-5.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.63
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)
-1.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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