CAS RN: 158171-15-4
FMOC-SER(PO3H2)-OH
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250530 | 100mg / 500mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS158171-15-4
- Purity/Analytical Methods: >99.0%
158171-15-4 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phosphonooxypropanoic acid
Basic Information
CAS
158171-15-4
Multi CAS
No
Molecular Formula
C18H18NO8P
Molecular Weight
407.300000
Exact Mass
407.077004
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](COP(=O)(O)O)C(=O)O
InChI
InChI=1S/C18H18NO8P/c20-17(21)16(10-27-28(23,24)25)19-18(22)26-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H,19,22)(H,20,21)(H2,23,24,25)/t16-/m0/s1
InChIKey
LGDJNCRIHRFKML-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
4
Molar refractivity
97.62
TPSA
142.39
LogP / Solubility
WLOGP
2.09
MLOGP
1.86
XLogP3
0.9
Consensus LogP
1.62
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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