CAS RN: 1128181-25-8
Fmoc-L-Lys(Stearoyl)-OH
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.20250115 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1128181-25-8
- Purity/Analytical Methods: >99.0%
1128181-25-8 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(octadecanoylamino)hexanoic acid
Fmoc-l-lys(stea)-oh | Nalpha-Fmoc-Nepsilon-Stearoyl-L-Lysine | MFCD22989439
Basic Information
CAS
1128181-25-8
Multi CAS
Yes
Molecular Formula
C39H58N2O5
Molecular Weight
634.900000
Exact Mass
634.434573
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C39H58N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28-37(42)40-29-22-21-27-36(38(43)44)41-39(45)46-30-35-33-25-19-17-23-31(33)32-24-18-20-26-34(32)35/h17-20,23-26,35-36H,2-16,21-22,27-30H2,1H3,(H,40,42)(H,41,45)(H,43,44)/t36-/m0/s1
InChIKey
URNSYNGKOXMMAW-BHVANESWSA-N
Synonyms
Fmoc-l-lys(stea)-oh
Nalpha-Fmoc-Nepsilon-Stearoyl-L-Lysine
MFCD22989439
N-alpha-Fmoc-N-epsilon-stearoyl-L-lysine (Fmoc-L-Lys(Stea)-OH)
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(octadecanoylamino)hexanoic acid
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
25
H-bond acceptors
4
H-bond donors
3
Molar refractivity
186.04
TPSA
104.73
LogP / Solubility
WLOGP
9.53
MLOGP
8.44
XLogP3
11.5
Consensus LogP
9.82
Log S (ESOL)
-8.32
Class (ESOL)
Insoluble
Log S (Ali)
-11.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.17
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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