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CAS 132388-65-9 FMOC-GLN(TRT)-OPFP molecular structure lightbox
CAS RN: 132388-65-9

FMOC-GLN(TRT)-OPFP

  • Product code: SSC-039302
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 132388-65-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

132388-65-9 / (2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(tritylamino)pentanoate

Standard CAS: 132388-65-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
132388-65-9
Multi CAS
No
Molecular Formula
C45H33F5N2O5
Molecular Weight
776.700000
Exact Mass
776.230963
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(=O)CC[C@@H](C(=O)OC4=C(C(=C(C(=C4F)F)F)F)F)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57
InChI
InChI=1S/C45H33F5N2O5/c46-37-38(47)40(49)42(41(50)39(37)48)57-43(54)35(51-44(55)56-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34)24-25-36(53)52-45(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-23,34-35H,24-26H2,(H,51,55)(H,52,53)/t35-/m0/s1
InChIKey
OLYKAAWLZTVISS-DHUJRADRSA-N

Computed Properties

Structural Parameters

Heavy atom count
57
Aromatic heavy atom count
36
Fraction Csp3
0.13
Rotatable bonds
12
H-bond acceptors
5
H-bond donors
2
Molar refractivity
200.44
TPSA
93.73

LogP / Solubility

WLOGP
9.08
MLOGP
8.06
XLogP3
9.4
Consensus LogP
8.85
Log S (ESOL)
-10.05
Class (ESOL)
Insoluble
Log S (Ali)
-12.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.69
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.01

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P264, P280, P302+P352, P321, P332+P317, and P362+P364

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