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CAS 159505-85-8 FMOC-D-PHE-OPFP molecular structure lightbox
CAS RN: 159505-85-8

FMOC-D-PHE-OPFP

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260220 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS159505-85-8
  • Purity/Analytical Methods: >99.0%
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159505-85-8 / (2,3,4,5,6-pentafluorophenyl) (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate

Standard CAS: 159505-85-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
159505-85-8
Multi CAS
No
Molecular Formula
C30H20F5NO4
Molecular Weight
553.500000
Exact Mass
553.131249
SMILES
C1=CC=C(C=C1)C[C@H](C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C30H20F5NO4/c31-23-24(32)26(34)28(27(35)25(23)33)40-29(37)22(14-16-8-2-1-3-9-16)36-30(38)39-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,36,38)/t22-/m1/s1
InChIKey
WKHPSOMXNCTXPK-JOCHJYFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.13
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
134.01
TPSA
64.63

LogP / Solubility

WLOGP
6.44
MLOGP
5.71
XLogP3
7
Consensus LogP
6.38
Log S (ESOL)
-7.31
Class (ESOL)
Insoluble
Log S (Ali)
-8.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.53

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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