CAS RN: 270065-90-2
FMOC-(S)-3-AMINO-4-(4-CYANO-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.20250418 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-125573
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 | Shanghai | Inquiry |
270065-90-2 / (3S)-4-(4-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Basic Information
CAS
270065-90-2
Multi CAS
No
Molecular Formula
C26H22N2O4
Molecular Weight
426.500000
Exact Mass
426.157957
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)C#N)CC(=O)O
InChI
InChI=1S/C26H22N2O4/c27-15-18-11-9-17(10-12-18)13-19(14-25(29)30)28-26(31)32-16-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,19,24H,13-14,16H2,(H,28,31)(H,29,30)/t19-/m0/s1
InChIKey
YEHSIHZGTLVMLZ-IBGZPJMESA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
119.11
TPSA
99.42
LogP / Solubility
WLOGP
4.48
MLOGP
3.97
XLogP3
4.3
Consensus LogP
4.25
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.99
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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