CAS RN: 207278-87-3
L-THREO-1-PHENYL-2-HEXADECANOYLAMINO-3-MORPHOLINO-1-PROPANOL HCL
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.20251226 | 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS207278-87-3
- Purity/Analytical Methods: >99.0%
207278-87-3 / N-[(1S,2S)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]hexadecanamide
Basic Information
CAS
207278-87-3
Multi CAS
No
Molecular Formula
C29H50N2O3
Molecular Weight
474.700000
Exact Mass
474.382143
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CN1CCOCC1)[C@H](C2=CC=CC=C2)O
InChI
InChI=1S/C29H50N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28(32)30-27(25-31-21-23-34-24-22-31)29(33)26-18-15-14-16-19-26/h14-16,18-19,27,29,33H,2-13,17,20-25H2,1H3,(H,30,32)/t27-,29-/m0/s1
InChIKey
OFBANDBMHLEMFA-YTMVLYRLSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.76
Rotatable bonds
19
H-bond acceptors
4
H-bond donors
2
Molar refractivity
140.9
TPSA
61.8
LogP / Solubility
WLOGP
6.02
MLOGP
5.33
XLogP3
7.4
Consensus LogP
6.25
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.02
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.34
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
3.5
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- CAS RN: 207284-25-1
- Product Code: starshine_CAS207284-25-1
- Purity/Analytical method: >99.0%
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