CAS RN: 222166-38-3
FMOC-1-AMINO-1-CYCLOOCTANECARBOXYLIC ACID
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.20251214 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS222166-38-3
- Purity/Analytical Methods: >99.0%
222166-38-3 / 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctane-1-carboxylic acid
Basic Information
CAS
222166-38-3
Multi CAS
No
Molecular Formula
C24H27NO4
Molecular Weight
393.500000
Exact Mass
393.194008
SMILES
C1CCCC(CCC1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H27NO4/c26-22(27)24(14-8-2-1-3-9-15-24)25-23(28)29-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21H,1-3,8-9,14-16H2,(H,25,28)(H,26,27)
InChIKey
ZOPBLCNRXHNKHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
110.89
TPSA
75.63
LogP / Solubility
WLOGP
5.09
MLOGP
4.5
XLogP3
5.3
Consensus LogP
4.96
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.92
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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