CAS RN: 1023043-30-2
ATP synthase inhibitor 1
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251116 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS1023043-30-2
- Purity/Analytical Methods: >99.0%
1023043-30-2 / 8-(5-chlorothiophen-2-yl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Basic Information
CAS
1023043-30-2
Multi CAS
No
Molecular Formula
C17H18ClN3O3S2
Molecular Weight
411.900000
Exact Mass
411.047812
SMILES
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Cl
InChI
InChI=1S/C17H18ClN3O3S2/c18-14-6-7-15(25-14)26(23,24)20-10-8-17(9-11-20)16(22)19-12-21(17)13-4-2-1-3-5-13/h1-7H,8-12H2,(H,19,22)
InChIKey
RYWWSVHLSVFIIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
11
Fraction Csp3
0.35
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
101.98
TPSA
69.72
LogP / Solubility
WLOGP
2.52
MLOGP
2.24
XLogP3
3.4
Consensus LogP
2.72
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
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)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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