CAS RN: 139906-29-9
Chingchengenamide A
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.20250908 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS139906-29-9
- Purity/Analytical Methods: >99.0%
139906-29-9 / (2E,4E)-7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hepta-2,4-dienamide
Basic Information
CAS
139906-29-9
Multi CAS
No
Molecular Formula
C18H23NO3
Molecular Weight
301.400000
Exact Mass
301.167794
SMILES
CC(C)CNC(=O)/C=C/C=C/CCC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C18H23NO3/c1-14(2)12-19-18(20)8-6-4-3-5-7-15-9-10-16-17(11-15)22-13-21-16/h3-4,6,8-11,14H,5,7,12-13H2,1-2H3,(H,19,20)/b4-3+,8-6+
InChIKey
AQKACENWDQZESU-PBOULFJWSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.39
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.01
TPSA
47.56
LogP / Solubility
WLOGP
3.23
MLOGP
2.86
XLogP3
4.2
Consensus LogP
3.43
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.14
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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