CAS RN: 1191429-12-5
(S)-N-FMoc-2-(5′-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.20260418 | 25mg / 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1191429-12-5
- Purity/Analytical Methods: >99.0%
1191429-12-5 / (2R)-7-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylheptanoic acid
(R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-7-azido-2-methylheptanoic acid | (R)-N-Fmoc-2-(5'-azidopentyl)alanine | Heptanoic acid, 7-azido-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2R)-
Basic Information
CAS
1191429-12-5
Multi CAS
Yes
Molecular Formula
C23H26N4O4
Molecular Weight
422.500000
Exact Mass
422.195405
SMILES
C[C@@](CCCCCN=[N+]=[N-])(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C23H26N4O4/c1-23(21(28)29,13-7-2-8-14-25-27-24)26-22(30)31-15-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,20H,2,7-8,13-15H2,1H3,(H,26,30)(H,28,29)/t23-/m1/s1
InChIKey
KXSOLTXAQPSGPN-HSZRJFAPSA-N
Synonyms
(R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-7-azido-2-methylheptanoic acid
(R)-N-Fmoc-2-(5'-azidopentyl)alanine
Heptanoic acid, 7-azido-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2R)-
(2R)-7-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylheptanoic acid
(2R)-7-Azido-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methylheptanoic acid
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
116.73
TPSA
124.39
LogP / Solubility
WLOGP
5.24
MLOGP
4.64
XLogP3
5.2
Consensus LogP
5.03
Log S (ESOL)
-5.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.95
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)
-1.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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