![CAS 1335206-40-0 Glycine, N-[2-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]ethyl]-N-(Methylsulfonyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1335206-40-0.gif)
CAS RN: 1335206-40-0
Glycine, N-[2-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]ethyl]-N-(Methylsulfonyl)-
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.20260325 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-040359
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1335206-40-0 / 2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-methylsulfonylamino]acetic acid
Basic Information
CAS
1335206-40-0
Multi CAS
No
Molecular Formula
C20H22N2O6S
Molecular Weight
418.500000
Exact Mass
418.119858
SMILES
CS(=O)(=O)N(CCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)CC(=O)O
InChI
InChI=1S/C20H22N2O6S/c1-29(26,27)22(12-19(23)24)11-10-21-20(25)28-13-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18H,10-13H2,1H3,(H,21,25)(H,23,24)
InChIKey
NWSKDGKSEBRUPA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
107.12
TPSA
113.01
LogP / Solubility
WLOGP
1.87
MLOGP
1.67
XLogP3
1.9
Consensus LogP
1.81
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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