![CAS 205526-32-5 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-pentafluoro-L-phenylalanine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f0900-jpgcontextbwfzdgvyfhjvb3r8mzyxotn8aw1hz2uvanblz3xonzcvagrmlzg5mza3mdc4otgzotgvrja5mdauanbnfdyxyzqxm2e4mwe4n2e0yjdizdkyn2y1odu0zmrln2uxmduymdgwztu0zwm1mmjjzgewmdaznzdmyjg3zgu1mde.jpeg)
CAS RN: 205526-32-5
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-pentafluoro-L-phenylalanine
- Product code: SSC-096704
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
205526-32-5 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
Basic Information
CAS
205526-32-5
Multi CAS
No
Molecular Formula
C24H16F5NO4
Molecular Weight
477.400000
Exact Mass
477.099949
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=C(C(=C(C(=C4F)F)F)F)F)C(=O)O
InChI
InChI=1S/C24H16F5NO4/c25-18-15(19(26)21(28)22(29)20(18)27)9-17(23(31)32)30-24(33)34-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8,16-17H,9-10H2,(H,30,33)(H,31,32)/t17-/m0/s1
InChIKey
DLOGILOIJKBYKA-KRWDZBQOSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
109.56
TPSA
75.63
LogP / Solubility
WLOGP
4.92
MLOGP
4.36
XLogP3
5.1
Consensus LogP
4.79
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.56
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)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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