CAS RN: 1301706-55-7
FMOC-LYS(PALMITOYL)-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.20260423 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1301706-55-7
- Purity/Analytical Methods: >99.0%
1301706-55-7 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(hexadecanoylamino)hexanoic acid
Basic Information
CAS
1301706-55-7
Multi CAS
No
Molecular Formula
C37H54N2O5
Molecular Weight
606.800000
Exact Mass
606.403273
SMILES
CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C37H54N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-26-35(40)38-27-20-19-25-34(36(41)42)39-37(43)44-28-33-31-23-17-15-21-29(31)30-22-16-18-24-32(30)33/h15-18,21-24,33-34H,2-14,19-20,25-28H2,1H3,(H,38,40)(H,39,43)(H,41,42)/t34-/m1/s1
InChIKey
DQZCUQJUXKWZEE-UUWRZZSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
44
Aromatic heavy atom count
12
Fraction Csp3
0.59
Rotatable bonds
23
H-bond acceptors
4
H-bond donors
3
Molar refractivity
176.8
TPSA
104.73
LogP / Solubility
WLOGP
8.75
MLOGP
7.75
XLogP3
10.4
Consensus LogP
8.97
Log S (ESOL)
-7.8
Class (ESOL)
Insoluble
Log S (Ali)
-10.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.62
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)
-0.21
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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