C25H19ClN4OS
TL;DR: C25H19ClN4OS (CAS 877783-49-8) is a chemical compound with molecular formula C25H19ClN4OS and molecular weight 458.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(3-chlorophenyl)-9-(4-methylsulfanylphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
Also Known As: 7-(3-chlorophenyl)-6-(4-(methylthio)phenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine, 7-(3-chlorophenyl)-6-[4-(methylsulfanyl)phenyl]-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine
| Molecular Formula | C25H19ClN4OS |
|---|---|
| Molecular Weight | 458.10 g/mol |
| LogP | 6.2133 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.0968 |
| Heavy Atoms | 32 |
| Complexity | 1348.0763 |
Chemical Identifiers
| CAS Number | 877783-49-8 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4O2)NC5=NC=NN5C3C6=CC(=CC=C6)Cl |
Product Overview
C25H19ClN4OS (CAS 877783-49-8), with molecular formula C25H19ClN4OS and molecular weight 458.10 g/mol. IUPAC: 11-(3-chlorophenyl)-9-(4-methylsulfanylphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene.
Chemical Property Profile of C25H19ClN4OS
Property Insights of C25H19ClN4OS
The XLogP value of 6.2133 indicates that C25H19ClN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.97 Ų, C25H19ClN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C25H19ClN4OS has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C25H19ClN4OS?
The CAS number of C25H19ClN4OS is 877783-49-8.
What is the molecular formula of C25H19ClN4OS?
The molecular formula of C25H19ClN4OS is C25H19ClN4OS.
What is the molecular weight of C25H19ClN4OS?
The molecular weight of C25H19ClN4OS is 458.10 g/mol.
Where can I buy C25H19ClN4OS?
You can request a quote for C25H19ClN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H19ClN4OS?
Yes, KEHONG BIO provides custom synthesis services for C25H19ClN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.