CAS RN: 1217716-50-1
Fmoc-N-Me-Phe(4-Cl)-OH
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.20250719 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-024492
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 | Beijing | Inquiry |
1217716-50-1 / (2S)-3-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
Basic Information
CAS
1217716-50-1
Multi CAS
No
Molecular Formula
C25H22ClNO4
Molecular Weight
435.900000
Exact Mass
435.123736
SMILES
CN([C@@H](CC1=CC=C(C=C1)Cl)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H22ClNO4/c1-27(23(24(28)29)14-16-10-12-17(26)13-11-16)25(30)31-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,28,29)/t23-/m0/s1
InChIKey
DTVJLZWXYPPOHJ-QHCPKHFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
119.41
TPSA
66.84
LogP / Solubility
WLOGP
5.22
MLOGP
4.62
XLogP3
5.5
Consensus LogP
5.11
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.54
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)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 1217717-09-3 (3aS,4S,6aR)-N-(16-Amino-2-oxo-7,10,13-trioxa-3-azahexadec-1-yl)hexahydro-N-methyl-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB21872521.gif)
