C25H22N4O3S
TL;DR: C25H22N4O3S (CAS 488724-86-3) is a chemical compound with molecular formula C25H22N4O3S and molecular weight 458.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(11,12,14-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-13-ylsulfanyl)acetamide
Also Known As: AN-919/40867050, 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide, 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-(3,4-dimethoxyphenethyl)acetamide
| Molecular Formula | C25H22N4O3S |
|---|---|
| Molecular Weight | 458.14 g/mol |
| LogP | 4.1404 |
| Topological Polar Surface Area | 86.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.14127 |
| Heavy Atoms | 33 |
| Complexity | 1353.8162 |
Chemical Identifiers
| CAS Number | 488724-86-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=C(C4=CC=CC5=C4C3=CC=C5)N=N2)OC |
Product Overview
C25H22N4O3S (CAS 488724-86-3), with molecular formula C25H22N4O3S and molecular weight 458.14 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(11,12,14-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-13-ylsulfanyl)acetamide.
Chemical Property Profile of C25H22N4O3S
Property Insights of C25H22N4O3S
The XLogP value of 4.1404 indicates that C25H22N4O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.23 Ų falls within the moderate polarity range, balancing permeability and solubility for C25H22N4O3S. Following Lipinski's Rule of Five, C25H22N4O3S has 1 hydrogen bond donor(s) and 7 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 C25H22N4O3S?
The CAS number of C25H22N4O3S is 488724-86-3.
What is the molecular formula of C25H22N4O3S?
The molecular formula of C25H22N4O3S is C25H22N4O3S.
What is the molecular weight of C25H22N4O3S?
The molecular weight of C25H22N4O3S is 458.14 g/mol.
Where can I buy C25H22N4O3S?
You can request a quote for C25H22N4O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H22N4O3S?
Yes, KEHONG BIO provides custom synthesis services for C25H22N4O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.