CAS RN: 1191429-14-7
(S)-N-FMoc-2-(6′-azido)alanine
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.20250623 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1191429-14-7
- Purity/Analytical Methods: >99.0%
1191429-14-7 / (2R)-8-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyloctanoic acid
(R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-8-azido-2-methyloctanoic acid | (R)-n-fmoc-2-(6'-azidohexyl)alanine | Octanoic acid, 8-azido-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2R)-
Basic Information
CAS
1191429-14-7
Multi CAS
Yes
Molecular Formula
C24H28N4O4
Molecular Weight
436.500000
Exact Mass
436.211055
SMILES
C[C@@](CCCCCCN=[N+]=[N-])(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C24H28N4O4/c1-24(22(29)30,14-8-2-3-9-15-26-28-25)27-23(31)32-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21H,2-3,8-9,14-16H2,1H3,(H,27,31)(H,29,30)/t24-/m1/s1
InChIKey
MSKNYBLJPSFPBR-XMMPIXPASA-N
Synonyms
(R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-8-azido-2-methyloctanoic acid
(R)-n-fmoc-2-(6'-azidohexyl)alanine
Octanoic acid, 8-azido-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2R)-
(2R)-8-Azido-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyloctanoic acid
SCHEMBL13575422
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
2
Molar refractivity
121.34
TPSA
124.39
LogP / Solubility
WLOGP
5.63
MLOGP
4.98
XLogP3
5.8
Consensus LogP
5.47
Log S (ESOL)
-5.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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