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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Beijing | Inquiry |
86060-89-1 / (2,3,4,5,6-pentafluorophenyl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
Basic Information
CAS
86060-89-1
Multi CAS
Yes
Molecular Formula
C27F5H22NO4
Molecular Weight
519.500000
Exact Mass
519.146899
InChI
InChI=1S/C27H22F5NO4/c1-3-13(2)24(26(34)37-25-22(31)20(29)19(28)21(30)23(25)32)33-27(35)36-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18,24H,3,12H2,1-2H3,(H,33,35)/t13-,24-/m0/s1
InChIKey
FYZSBHSHLNJGPS-RZFZLAGVSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
123.31
TPSA
64.63
LogP / Solubility
WLOGP
6.24
MLOGP
5.53
XLogP3
6.8
Consensus LogP
6.19
Log S (ESOL)
-6.89
Class (ESOL)
Insoluble
Log S (Ali)
-8.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.06
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)
-1.46
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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FMOC-CYS(BZL)-OPFP
- CAS RN: 86060-95-9
- Product Code: starshine_CAS86060-95-9
- Purity/Analytical method: >99.0%
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