CAS RN: 254750-02-2
(S)-3-((S)-2-(2-(2-tert-butylphenylamino)-2-oxoacetamido)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
Product Availability
Choose a grade to view its available package options.
12 package records9 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260212 | 5mg / 10mg / 25mg / 50mg / 100mg | Confirm by inquiry | Shandong, Shanghai | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260503 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250509 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260519 | 1g | Out of stock | Inquiry | ||
| Batchno.20260409 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250810 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260605 | 50mg | In stock | Shanghai | Inquiry |
- Product code: SSC-121440
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
254750-02-2 / 3-[2-[[2-(2-tert-butylanilino)-2-oxoacetyl]amino]propanoylamino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
Basic Information
CAS
254750-02-2
Multi CAS
No
Molecular Formula
C26H27F4N3O7
Molecular Weight
569.500000
Exact Mass
569.178513
SMILES
CC(C(=O)NC(CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)NC(=O)C(=O)NC2=CC=CC=C2C(C)(C)C
InChI
InChI=1S/C26H27F4N3O7/c1-12(31-24(38)25(39)32-16-8-6-5-7-13(16)26(2,3)4)23(37)33-17(10-19(35)36)18(34)11-40-22-20(29)14(27)9-15(28)21(22)30/h5-9,12,17H,10-11H2,1-4H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t12-,17-/m0/s1
InChIKey
SCVHJVCATBPIHN-SJCJKPOMSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
4
Molar refractivity
132.34
TPSA
150.9
LogP / Solubility
WLOGP
2.59
MLOGP
2.32
XLogP3
3.6
Consensus LogP
2.84
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.71
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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