![CAS 2757730-26-8 Propanamide, N-[[2,3-dihydro-2-methyl-1-(1-oxopropyl)-1H-indol-5-yl]sulfonyl]-N-(3-methoxyphenyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757730-26-8.gif)
CAS RN: 2757730-26-8
Propanamide, N-[[2,3-dihydro-2-methyl-1-(1-oxopropyl)-1H-indol-5-yl]sulfonyl]-N-(3-methoxyphenyl)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250717 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2757730-26-8
- Purity/Analytical Methods: >99.0%
2757730-26-8 / N-(3-methoxyphenyl)-N-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
Basic Information
CAS
2757730-26-8
Multi CAS
No
Molecular Formula
C22H26N2O5S
Molecular Weight
430.500000
Exact Mass
430.156243
SMILES
CCC(=O)N1C(CC2=C1C=CC(=C2)S(=O)(=O)N(C3=CC(=CC=C3)OC)C(=O)CC)C
InChI
InChI=1S/C22H26N2O5S/c1-5-21(25)23-15(3)12-16-13-19(10-11-20(16)23)30(27,28)24(22(26)6-2)17-8-7-9-18(14-17)29-4/h7-11,13-15H,5-6,12H2,1-4H3
InChIKey
BYRQJLNBMXIVRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
115.34
TPSA
83.99
LogP / Solubility
WLOGP
3.51
MLOGP
3.12
XLogP3
3.1
Consensus LogP
3.24
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.85
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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