ATP synthase inhibitor 1
TL;DR: ATP synthase inhibitor 1 (CAS 1023043-30-2) is a chemical compound with molecular formula C17H18ClN3O3S2 and molecular weight 411.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(5-chlorothiophen-2-yl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: ATP synthase inhibitor 1, EX-A4571, 8-((5-Chlorothiophen-2-yl)sulfonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, 8-(5-chlorothiophen-2-yl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, AB00042829-01
| Molecular Formula | C17H18ClN3O3S2 |
|---|---|
| Molecular Weight | 411.05 g/mol |
| LogP | 2.5187 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.04782 |
| Heavy Atoms | 26 |
| Complexity | 921.73956 |
Chemical Identifiers
| CAS Number | 1023043-30-2 |
|---|---|
| SMILES | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Cl |
Product Overview
ATP synthase inhibitor 1 (CAS 1023043-30-2), with molecular formula C17H18ClN3O3S2 and molecular weight 411.05 g/mol. IUPAC: 8-(5-chlorothiophen-2-yl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of ATP synthase inhibitor 1
Property Insights of ATP synthase inhibitor 1
The XLogP value of 2.5187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ATP synthase inhibitor 1. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ATP synthase inhibitor 1. Following Lipinski's Rule of Five, ATP synthase inhibitor 1 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ATP synthase inhibitor 1?
The CAS number of ATP synthase inhibitor 1 is 1023043-30-2.
What is the molecular formula of ATP synthase inhibitor 1?
The molecular formula of ATP synthase inhibitor 1 is C17H18ClN3O3S2.
What is the molecular weight of ATP synthase inhibitor 1?
The molecular weight of ATP synthase inhibitor 1 is 411.05 g/mol.
Where can I buy ATP synthase inhibitor 1?
You can request a quote for ATP synthase inhibitor 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ATP synthase inhibitor 1?
Yes, KEHONG BIO provides custom synthesis services for ATP synthase inhibitor 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.