CAS RN: 7003-56-7
Dodecanamide, N,N-1,2-ethanediylbis-
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251127 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS7003-56-7
- Purity/Analytical Methods: >99.0%
7003-56-7 / N-[2-(dodecanoylamino)ethyl]dodecanamide
Basic Information
CAS
7003-56-7
Multi CAS
No
Molecular Formula
C26H52N2O2
Molecular Weight
424.700000
Exact Mass
424.402879
SMILES
CCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCC
InChI
InChI=1S/C26H52N2O2/c1-3-5-7-9-11-13-15-17-19-21-25(29)27-23-24-28-26(30)22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,29)(H,28,30)
InChIKey
HETBCUMLBCUVKC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.92
Rotatable bonds
23
H-bond acceptors
2
H-bond donors
2
Molar refractivity
129.71
TPSA
58.2
LogP / Solubility
WLOGP
7.06
MLOGP
6.24
XLogP3
9.2
Consensus LogP
7.5
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.04
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)
-0.3
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
2.5
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