C21H18ClN7OS2
TL;DR: C21H18ClN7OS2 (CAS 877803-24-2) is a chemical compound with molecular formula C21H18ClN7OS2 and molecular weight 483.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[(9-methyl-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]acetamide
Also Known As: N-(3-chlorophenyl)-2-((2-methyl-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)acetamide, N-(3-chlorophenyl)-2-[(2-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]acetamide
| Molecular Formula | C21H18ClN7OS2 |
|---|---|
| Molecular Weight | 483.07 g/mol |
| LogP | 4.55812 |
| Topological Polar Surface Area | 89.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 483.07028 |
| Heavy Atoms | 32 |
| Complexity | 1519.4865 |
Chemical Identifiers
| CAS Number | 877803-24-2 |
|---|---|
| SMILES | CC1=NN2C(=N1)C3=C(N4C2=NN=C4SCC(=O)NC5=CC(=CC=C5)Cl)SC6=C3CCCC6 |
Product Overview
C21H18ClN7OS2 (CAS 877803-24-2), with molecular formula C21H18ClN7OS2 and molecular weight 483.07 g/mol. IUPAC: N-(3-chlorophenyl)-2-[(9-methyl-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]acetamide.
Chemical Property Profile of C21H18ClN7OS2
Property Insights of C21H18ClN7OS2
The XLogP value of 4.55812 indicates that C21H18ClN7OS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.48 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H18ClN7OS2. Following Lipinski's Rule of Five, C21H18ClN7OS2 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 C21H18ClN7OS2?
The CAS number of C21H18ClN7OS2 is 877803-24-2.
What is the molecular formula of C21H18ClN7OS2?
The molecular formula of C21H18ClN7OS2 is C21H18ClN7OS2.
What is the molecular weight of C21H18ClN7OS2?
The molecular weight of C21H18ClN7OS2 is 483.07 g/mol.
Where can I buy C21H18ClN7OS2?
You can request a quote for C21H18ClN7OS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H18ClN7OS2?
Yes, KEHONG BIO provides custom synthesis services for C21H18ClN7OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.