CAS RN: 1070874-06-4
N- Fmoc-N’-Methyl-L-Asparagine
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.20250114 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-008523
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 |
1070874-06-4 / (2S)-4-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
4-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid | (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-4-amino-4-oxobutanoic acid | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-4-amino-4-oxobutanoic acid
Basic Information
CAS
1070874-06-4
Multi CAS
Yes
Molecular Formula
C20H20N2O5
Molecular Weight
368.400000
Exact Mass
368.137222
SMILES
CN([C@@H](CC(=O)N)C(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H20N2O5/c1-22(17(19(24)25)10-18(21)23)20(26)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H2,21,23)(H,24,25)/t17-/m0/s1
InChIKey
XBXKBFQFIULUCJ-KRWDZBQOSA-N
Synonyms
4-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-4-amino-4-oxobutanoic acid
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-4-amino-4-oxobutanoic acid
SCHEMBL29113082
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
98.07
TPSA
109.93
LogP / Solubility
WLOGP
2.2
MLOGP
1.95
XLogP3
1.7
Consensus LogP
1.95
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
