CAS RN: 206060-40-4
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(3-methoxyphenyl)propanoic acid
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250605 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250306 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250115 | 1g | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20260517 | 250mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250822 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20250927 | 5g | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
- Product code: SSC-097171
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
206060-40-4 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methoxyphenyl)propanoic acid
Basic Information
CAS
206060-40-4
Multi CAS
No
Molecular Formula
C25H23NO5
Molecular Weight
417.500000
Exact Mass
417.157623
SMILES
COC1=CC=CC(=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H23NO5/c1-30-17-8-6-7-16(13-17)14-23(24(27)28)26-25(29)31-15-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m0/s1
InChIKey
IKKQVAWYVGALAQ-QHCPKHFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
116.33
TPSA
84.86
LogP / Solubility
WLOGP
4.23
MLOGP
3.75
XLogP3
4.6
Consensus LogP
4.19
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
