![CAS 878427-52-2 N-[(5-formyl-2-furyl)methyl]-N-methylmethanesulfonamide(SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/878427-52-2.gif)
CAS RN: 878427-52-2
N-[(5-formyl-2-furyl)methyl]-N-methylmethanesulfonamide(SALTDATA: FREE)
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.20250719 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS878427-52-2
- Purity/Analytical Methods: >99.0%
878427-52-2 / N-[(5-formylfuran-2-yl)methyl]-N-methylmethanesulfonamide
Basic Information
CAS
878427-52-2
Multi CAS
No
Molecular Formula
C8H11NO4S
Molecular Weight
217.240000
Exact Mass
217.040879
InChI
InChI=1S/C8H11NO4S/c1-9(14(2,11)12)5-7-3-4-8(6-10)13-7/h3-4,6H,5H2,1-2H3
InChIKey
QPAHVGJSSMSJPL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
50.41
TPSA
67.59
LogP / Solubility
WLOGP
0.48
MLOGP
0.43
XLogP3
-0.1
Consensus LogP
0.27
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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