![CAS 527696-77-1 methyl (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-iodopropanoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/527696-77-1.gif)
CAS RN: 527696-77-1
methyl (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-iodopropanoate
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.20250907 | 250mg / 1g / 5g / 25g / 50g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-159895
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 0.25g, 500g
- Available purity: >97%
- Inventory rows with stock: 12
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 5 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | -- | 5 In Stock | Beijing | Inquiry |
| 10g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 25g | -- | 5 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 5 In Stock | Beijing | Inquiry |
| 100g | -- | 4 In Stock | Beijing | Inquiry |
| 100g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 500g | -- | 0 Out of Stock | Beijing | Inquiry |
| 500g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
527696-77-1 / methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-iodopropanoate
Basic Information
CAS
527696-77-1
Multi CAS
Yes
Molecular Formula
C19H18InO4
Molecular Weight
451.300000
Exact Mass
451.028060
InChI
InChI=1S/C19H18INO4/c1-24-18(22)17(10-20)21-19(23)25-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,21,23)/t17-/m1/s1
InChIKey
CWUVRMHOLORRBM-QGZVFWFLSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
102.9
TPSA
64.63
LogP / Solubility
WLOGP
3.5
MLOGP
3.11
XLogP3
4.1
Consensus LogP
3.57
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 528521-87-1 (R)-(+)-7,7′-BIS[DI(4-METHYLPHENYL)PHOSPHINO]-2,2′,3,3′-TETRAHYDRO-1,1′-SPIROBIINDANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/528521-87-1.gif)
![CAS 528521-89-3 (S)-(-)-7,7′-BIS[DI(3,5-DIMETHYLPHENYL)PHOSPHINO]-2,2′,3,3′-TETRAHYDRO-1,1′-SPIROBIINDANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/528521-89-3.gif)
