![CAS 213017-44-8 L-Lysine,N6-(1-oxotetradecyl)-N2-[(phenylmethoxy)carbonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/213017-44-8.gif)
CAS RN: 213017-44-8
L-Lysine,N6-(1-oxotetradecyl)-N2-[(phenylmethoxy)carbonyl]-
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.20250221 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS213017-44-8
- Purity/Analytical Methods: >99.0%
213017-44-8 / (2S)-2-(phenylmethoxycarbonylamino)-6-(tetradecanoylamino)hexanoic acid
Basic Information
CAS
213017-44-8
Multi CAS
No
Molecular Formula
C28H46N2O5
Molecular Weight
490.700000
Exact Mass
490.340673
SMILES
CCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C28H46N2O5/c1-2-3-4-5-6-7-8-9-10-11-15-21-26(31)29-22-17-16-20-25(27(32)33)30-28(34)35-23-24-18-13-12-14-19-24/h12-14,18-19,25H,2-11,15-17,20-23H2,1H3,(H,29,31)(H,30,34)(H,32,33)/t25-/m0/s1
InChIKey
XXFBWMHPFLUIES-VWLOTQADSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
21
H-bond acceptors
4
H-bond donors
3
Molar refractivity
139.13
TPSA
104.73
LogP / Solubility
WLOGP
6.35
MLOGP
5.63
XLogP3
7.7
Consensus LogP
6.56
Log S (ESOL)
-5.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.64
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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