![CAS 2288709-60-2 5-Benzofuranacetamide, N-[4-(2-furanyl)-6-methyl-2-benzothiazolyl]-2,3-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2288709-60-2.gif)
CAS RN: 2288709-60-2
5-Benzofuranacetamide, N-[4-(2-furanyl)-6-methyl-2-benzothiazolyl]-2,3-dihydro-
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250202 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2288709-60-2
- Purity/Analytical Methods: >99.0%
2288709-60-2 / 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-(furan-2-yl)-6-methyl-1,3-benzothiazol-2-yl]acetamide
Basic Information
CAS
2288709-60-2
Multi CAS
No
Molecular Formula
C22H18N2O3S
Molecular Weight
390.500000
Exact Mass
390.103814
SMILES
CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CC3=CC4=C(C=C3)OCC4)C5=CC=CO5
InChI
InChI=1S/C22H18N2O3S/c1-13-9-16(18-3-2-7-26-18)21-19(10-13)28-22(24-21)23-20(25)12-14-4-5-17-15(11-14)6-8-27-17/h2-5,7,9-11H,6,8,12H2,1H3,(H,23,24,25)
InChIKey
YFFKFZNTINDUQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
20
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
110.03
TPSA
64.36
LogP / Solubility
WLOGP
4.98
MLOGP
4.41
XLogP3
4.6
Consensus LogP
4.66
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.81
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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