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: 5g
- Available purity: ≥96%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥96% | 0 Out of Stock | Shenzhen | Inquiry |
86060-90-4 / 1-O-(9H-fluoren-9-ylmethyl) 2-O-(2,3,4,5,6-pentafluorophenyl) (2S)-pyrrolidine-1,2-dicarboxylate
Basic Information
CAS
86060-90-4
Multi CAS
Yes
Molecular Formula
C26F5H18NO4
Molecular Weight
503.400000
Exact Mass
503.115599
InChI
InChI=1S/C26H18F5NO4/c27-19-20(28)22(30)24(23(31)21(19)29)36-25(33)18-10-5-11-32(18)26(34)35-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2/t18-/m0/s1
InChIKey
CQBLOHXKGUNWRV-SFHVURJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
116.66
TPSA
55.84
LogP / Solubility
WLOGP
5.7
MLOGP
5.05
XLogP3
5.7
Consensus LogP
5.48
Log S (ESOL)
-6.66
Class (ESOL)
Insoluble
Log S (Ali)
-7.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.14
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)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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FMOC-CYS(BZL)-OPFP
- CAS RN: 86060-95-9
- Product Code: starshine_CAS86060-95-9
- Purity/Analytical method: >99.0%
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