CAS RN: 148983-03-3
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-cyclohexylpropanoic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260104 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: SSC-059093
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
148983-03-3 / (2S)-3-cyclohexyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
Basic Information
CAS
148983-03-3
Multi CAS
No
Molecular Formula
C25H29NO4
Molecular Weight
407.500000
Exact Mass
407.209658
SMILES
CN([C@@H](CC1CCCCC1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H29NO4/c1-26(23(24(27)28)15-17-9-3-2-4-10-17)25(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h5-8,11-14,17,22-23H,2-4,9-10,15-16H2,1H3,(H,27,28)/t23-/m0/s1
InChIKey
SZQWVTJZNYDCRV-QHCPKHFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
115.45
TPSA
66.84
LogP / Solubility
WLOGP
5.29
MLOGP
4.68
XLogP3
6
Consensus LogP
5.32
Log S (ESOL)
-5.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.42
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)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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