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CAS 117088-31-0 FMOC-THR(TBU)-OPFP molecular structure lightbox
CAS RN: 117088-31-0

FMOC-THR(TBU)-OPFP

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250803 1g In stock Inquiry
Batchno.20250707 25g In stock Inquiry
Batchno.20260321 5g In stock Inquiry
  • Product code: SSC-016922
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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 117088-31-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

117088-31-0 / (2,3,4,5,6-pentafluorophenyl) (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate

(2,3,4,5,6-pentafluorophenyl) (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate | C29H26F5NO5 | (2,3,4,5,6-pentafluorophenyl) 3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate

Standard CAS: 117088-31-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
117088-31-0
Multi CAS
Yes
Molecular Formula
C29H26F5NO5
Molecular Weight
563.500000
Exact Mass
563.173114
SMILES
C[C@H]([C@@H](C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC(C)(C)C
InChI
InChI=1S/C29H26F5NO5/c1-14(40-29(2,3)4)25(27(36)39-26-23(33)21(31)20(30)22(32)24(26)34)35-28(37)38-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19,25H,13H2,1-4H3,(H,35,37)/t14-,25+/m1/s1
InChIKey
BHUUPIXJXWQAMT-PWECECGKSA-N
Synonyms
(2,3,4,5,6-pentafluorophenyl) (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate C29H26F5NO5 (2,3,4,5,6-pentafluorophenyl) 3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
18
Fraction Csp3
0.31
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
134.16
TPSA
73.86

LogP / Solubility

WLOGP
6.4
MLOGP
5.67
XLogP3
6.3
Consensus LogP
6.12
Log S (ESOL)
-7.24
Class (ESOL)
Insoluble
Log S (Ali)
-8.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.47
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)
-1.61

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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