![CAS 688335-72-0 N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((1-(3-methoxyphenyl)-1H-imidazol-2-yl)thio)acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/688335-72-0.gif)
CAS RN: 688335-72-0
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((1-(3-methoxyphenyl)-1H-imidazol-2-yl)thio)acetamide
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.20250329 | 1mg / 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS688335-72-0
- Purity/Analytical Methods: >99.0%
688335-72-0 / N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
Basic Information
CAS
688335-72-0
Multi CAS
No
Molecular Formula
C20H19N3O4S
Molecular Weight
397.400000
Exact Mass
397.109627
InChI
InChI=1S/C20H19N3O4S/c1-25-16-4-2-3-15(12-16)23-8-7-21-20(23)28-13-19(24)22-14-5-6-17-18(11-14)27-10-9-26-17/h2-8,11-12H,9-10,13H2,1H3,(H,22,24)
InChIKey
GTLVWSIPFSJORO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
106.9
TPSA
74.61
LogP / Solubility
WLOGP
3.38
MLOGP
3
XLogP3
3.1
Consensus LogP
3.16
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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