CAS RN: 229180-64-7
FMOC-L-4-PHOSPHONOMETHYLPHENYLALANINE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: SSC-111512
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
229180-64-7 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(phosphonomethyl)phenyl]propanoic acid
Basic Information
CAS
229180-64-7
Multi CAS
No
Molecular Formula
C25H24NO7P
Molecular Weight
481.400000
Exact Mass
481.129039
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(C=C4)CP(=O)(O)O)C(=O)O
InChI
InChI=1S/C25H24NO7P/c27-24(28)23(13-16-9-11-17(12-10-16)15-34(30,31)32)26-25(29)33-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22-23H,13-15H2,(H,26,29)(H,27,28)(H2,30,31,32)/t23-/m0/s1
InChIKey
OBRYXGOVBZKHLL-QHCPKHFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
4
Molar refractivity
125.52
TPSA
133.16
LogP / Solubility
WLOGP
3.9
MLOGP
3.46
XLogP3
2.6
Consensus LogP
3.32
Log S (ESOL)
-5.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.99
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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