CAS RN: 324755-72-8
N-(1-Oxohexadecyl)-beta-alanyl-L-histidine
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.20260410 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS324755-72-8
- Purity/Analytical Methods: >99.0%
324755-72-8 / (2S)-2-[3-(hexadecanoylamino)propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid
Basic Information
CAS
324755-72-8
Multi CAS
Yes
Molecular Formula
C25H44N4O4
Molecular Weight
464.600000
Exact Mass
464.336256
InChI
InChI=1S/C25H44N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(30)27-17-16-24(31)29-22(25(32)33)18-21-19-26-20-28-21/h19-20,22H,2-18H2,1H3,(H,26,28)(H,27,30)(H,29,31)(H,32,33)/t22-/m0/s1
InChIKey
LNXLHAWHHNDIDC-QFIPXVFZSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
5
Fraction Csp3
0.76
Rotatable bonds
21
H-bond acceptors
4
H-bond donors
4
Molar refractivity
129.8
TPSA
124.18
LogP / Solubility
WLOGP
4.51
MLOGP
4
XLogP3
5.9
Consensus LogP
4.8
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.94
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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