CAS RN: 1050501-64-8
(S)-2-(((9H-fluoren-9-yl)Methoxy)carbonylaMino)-6-azido-2-Methylhexanoic acid
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.20260518 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1050501-64-8
- Purity/Analytical Methods: >99.0%
1050501-64-8 / (2S)-6-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
(S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-6-azido-2-methylhexanoic acid | (S)-N-Fmoc-2-(4'-azido)alanine | (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-6-azido-2-methylhexanoic acid
Basic Information
CAS
1050501-64-8
Multi CAS
Yes
Molecular Formula
C22H24N4O4
Molecular Weight
408.400000
Exact Mass
408.179755
SMILES
C[C@](CCCCN=[N+]=[N-])(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H24N4O4/c1-22(20(27)28,12-6-7-13-24-26-23)25-21(29)30-14-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,19H,6-7,12-14H2,1H3,(H,25,29)(H,27,28)/t22-/m0/s1
InChIKey
RMUCLSZPXSHUDT-QFIPXVFZSA-N
Synonyms
(S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-6-azido-2-methylhexanoic acid
(S)-N-Fmoc-2-(4'-azido)alanine
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-6-azido-2-methylhexanoic acid
MFCD21602906
(2S)-6-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
112.11
TPSA
124.39
LogP / Solubility
WLOGP
4.85
MLOGP
4.29
XLogP3
4.9
Consensus LogP
4.68
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.42
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)
-1.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P273, P391, and P501
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