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CAS 86061-01-0 FMOC-ASP(OTBU)-OPFP molecular structure lightbox
CAS RN: 86061-01-0

FMOC-ASP(OTBU)-OPFP

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260208 1g In stock Inquiry
Batchno.20250831 25g Out of stock Inquiry
Batchno.20250514 5g In stock Inquiry
  • Product code: SSC-194880
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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: 10g
  • Available purity: ≥97%
  • 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 86061-01-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry

86061-01-0 / 4-O-tert-butyl 1-O-(2,3,4,5,6-pentafluorophenyl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanedioate

Standard CAS: 86061-01-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86061-01-0
Multi CAS
Yes
Molecular Formula
C29F5H24NO6
Molecular Weight
577.500000
Exact Mass
577.152378
InChI
InChI=1S/C29H24F5NO6/c1-29(2,3)41-20(36)12-19(27(37)40-26-24(33)22(31)21(30)23(32)25(26)34)35-28(38)39-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,35,38)/t19-/m0/s1
InChIKey
DWYWJUBBXKYAMY-IBGZPJMESA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
134.32
TPSA
90.93

LogP / Solubility

WLOGP
5.93
MLOGP
5.26
XLogP3
5.9
Consensus LogP
5.7
Log S (ESOL)
-7.02
Class (ESOL)
Insoluble
Log S (Ali)
-8.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.17
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)
-2.03

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

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