CAS RN: 198545-00-5
FMOC-D-LYS(TEOC)-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.20260406 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS198545-00-5
- Purity/Analytical Methods: >99.0%
198545-00-5 / (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid
Basic Information
CAS
198545-00-5
Multi CAS
No
Molecular Formula
C27H36N2O6Si
Molecular Weight
512.700000
Exact Mass
512.234263
SMILES
C[Si](C)(C)CCOC(=O)NCCCC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C27H36N2O6Si/c1-36(2,3)17-16-34-26(32)28-15-9-8-14-24(25(30)31)29-27(33)35-18-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h4-7,10-13,23-24H,8-9,14-18H2,1-3H3,(H,28,32)(H,29,33)(H,30,31)/t24-/m1/s1
InChIKey
OPNHWQULKLODEU-XMMPIXPASA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
12
H-bond acceptors
5
H-bond donors
3
Molar refractivity
140.98
TPSA
113.96
LogP / Solubility
WLOGP
5.21
MLOGP
4.62
XLogP3
5.21
Consensus LogP
5.01
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
