CAS RN: 86060-95-9
FMOC-CYS(BZL)-OPFP
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250608 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS86060-95-9
- Purity/Analytical Methods: >99.0%
86060-95-9 / (2,3,4,5,6-pentafluorophenyl) 3-benzylsulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
Basic Information
CAS
86060-95-9
Multi CAS
Yes
Molecular Formula
C31F5H22NO4S
Molecular Weight
599.600000
Exact Mass
599.118970
InChI
InChI=1S/C31H22F5NO4S/c32-24-25(33)27(35)29(28(36)26(24)34)41-30(38)23(16-42-15-17-8-2-1-3-9-17)37-31(39)40-14-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,37,39)/t23-/m0/s1
InChIKey
PSDSBWKIZVGTFE-QHCPKHFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
24
Fraction Csp3
0.16
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
1
Molar refractivity
146.46
TPSA
64.63
LogP / Solubility
WLOGP
7.13
MLOGP
6.32
XLogP3
7.2
Consensus LogP
6.88
Log S (ESOL)
-7.88
Class (ESOL)
Insoluble
Log S (Ali)
-9.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.55
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)
-1.32
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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- Product Code: starshine_CAS86062-17-1
- Purity/Analytical method: >99.0%
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