CAS RN: 1191429-18-1
(R)-8-Azido-2-(Fmoc-amino)octanoic 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.20250726 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1191429-18-1
- Purity/Analytical Methods: >99.0%
1191429-18-1 / (2R)-8-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid
(R)-8-Azido-2-(Fmoc-amino)octanoic acid | orb1984863 | SCHEMBL13575420
Basic Information
CAS
1191429-18-1
Multi CAS
Yes
Molecular Formula
C23H26N4O4
Molecular Weight
422.500000
Exact Mass
422.195405
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CCCCCCN=[N+]=[N-])C(=O)O
InChI
InChI=1S/C23H26N4O4/c24-27-25-14-8-2-1-3-13-21(22(28)29)26-23(30)31-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20-21H,1-3,8,13-15H2,(H,26,30)(H,28,29)/t21-/m1/s1
InChIKey
ORGUFSNMGCTGEA-OAQYLSRUSA-N
Synonyms
(R)-8-Azido-2-(Fmoc-amino)octanoic acid
orb1984863
SCHEMBL13575420
(2R)-8-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)octanoic acid
AKOS040756533
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
2
Molar refractivity
116.73
TPSA
124.39
LogP / Solubility
WLOGP
5.24
MLOGP
4.64
XLogP3
5.6
Consensus LogP
5.16
Log S (ESOL)
-5.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.07
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
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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