CAS RN: 497060-30-7
2-((4-METHYLPHENYL)SULFONYL)-N-(((2-THIENYLCARBONYLAMINO)THIOXOMETHYL)AMINO)ETHANAMIDE
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.20250606 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS497060-30-7
- Purity/Analytical Methods: >99.0%
497060-30-7 / N-[[[2-(4-methylphenyl)sulfonylacetyl]amino]carbamothioyl]thiophene-2-carboxamide
Basic Information
CAS
497060-30-7
Multi CAS
No
Molecular Formula
C15H15N3O4S3
Molecular Weight
397.500000
Exact Mass
397.022469
InChI
InChI=1S/C15H15N3O4S3/c1-10-4-6-11(7-5-10)25(21,22)9-13(19)17-18-15(23)16-14(20)12-3-2-8-24-12/h2-8H,9H2,1H3,(H,17,19)(H2,16,18,20,23)
InChIKey
OHUIXDLRRNQFDY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
11
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
98.89
TPSA
104.37
LogP / Solubility
WLOGP
1.17
MLOGP
1.05
XLogP3
2.8
Consensus LogP
1.67
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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