CAS RN: 383418-30-2
HPA-12
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.20260105 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTH1553
- Purity/Analytical Methods: >98.0%(HPLC)
383418-30-2 / N-(1,4-dihydroxy-4-phenylbutan-2-yl)dodecanamide
Basic Information
CAS
383418-30-2
Multi CAS
Yes
Molecular Formula
C22H37NO3
Molecular Weight
363.500000
Exact Mass
363.277344
InChI
InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-13-16-22(26)23-20(18-24)17-21(25)19-14-11-10-12-15-19/h10-12,14-15,20-21,24-25H,2-9,13,16-18H2,1H3,(H,23,26)
InChIKey
YCAKBKAOFSILDC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
15
H-bond acceptors
3
H-bond donors
3
Molar refractivity
106.88
TPSA
69.56
LogP / Solubility
WLOGP
4.51
MLOGP
3.99
XLogP3
5.3
Consensus LogP
4.6
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.56
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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