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CAS 86061-04-3 5-tert-Butyl 1-Pentafluorophenyl N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-glutamate molecular structure lightbox
CAS RN: 86061-04-3

5-tert-Butyl 1-Pentafluorophenyl N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-glutamate

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251111 1g In stock Inquiry
Batchno.20250213 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260516 1g / 5g / 25g / 100g Confirm by inquiry Shandong 5-7 business days Inquiry
  • Product code: SSC-194882
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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: 25g
  • 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 86061-04-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

86061-04-3 / 5-O-tert-butyl 1-O-(2,3,4,5,6-pentafluorophenyl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioate

Standard CAS: 86061-04-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86061-04-3
Multi CAS
Yes
Molecular Formula
C30F5H26NO6
Molecular Weight
591.500000
Exact Mass
591.168028
InChI
InChI=1S/C30H26F5NO6/c1-30(2,3)42-21(37)13-12-20(28(38)41-27-25(34)23(32)22(31)24(33)26(27)35)36-29(39)40-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,36,39)
InChIKey
AIDYQYOPUBOMTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
18
Fraction Csp3
0.3
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
1
Molar refractivity
138.94
TPSA
90.93

LogP / Solubility

WLOGP
6.32
MLOGP
5.61
XLogP3
6.2
Consensus LogP
6.04
Log S (ESOL)
-7.28
Class (ESOL)
Insoluble
Log S (Ali)
-8.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.71
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)
-1.84

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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