CAS RN: 941296-80-6
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-4-oxo-4-(tritylamino)butanoic 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 | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250303 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-208694
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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.1g | >97% | 5 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 5 In Stock | Beijing | Inquiry |
| 1g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 5 In Stock | Shanghai | Inquiry |
| 10g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 5 In Stock | Shanghai | Inquiry |
941296-80-6 / (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxo-4-(tritylamino)butanoic acid
Basic Information
CAS
941296-80-6
Multi CAS
Yes
Molecular Formula
C39H34N2O5
Molecular Weight
610.700000
Exact Mass
610.246772
InChI
InChI=1S/C39H34N2O5/c1-41(38(45)46-26-34-32-23-13-11-21-30(32)31-22-12-14-24-33(31)34)35(37(43)44)25-36(42)40-39(27-15-5-2-6-16-27,28-17-7-3-8-18-28)29-19-9-4-10-20-29/h2-24,34-35H,25-26H2,1H3,(H,40,42)(H,43,44)/t35-/m0/s1
InChIKey
YZBDIRBPZCFMAZ-DHUJRADRSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
30
Fraction Csp3
0.15
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
176.22
TPSA
95.94
LogP / Solubility
WLOGP
6.82
MLOGP
6.05
XLogP3
6.8
Consensus LogP
6.56
Log S (ESOL)
-7.74
Class (ESOL)
Insoluble
Log S (Ali)
-9.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.6
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
6
