RefChem:309817
TL;DR: RefChem:309817 (CAS 105219-61-2) is a chemical compound with molecular formula C22H24ClN5OS and molecular weight 441.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-N,N-diethylpropanamide
Also Known As: 6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-N,N-diethyl-9-methyl-, 3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-N,N-diethylpropanamide, RefChem:309817
| Molecular Formula | C22H24ClN5OS |
|---|---|
| Molecular Weight | 441.14 g/mol |
| LogP | 4.44262 |
| Topological Polar Surface Area | 63.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.139 |
| Heavy Atoms | 30 |
| Complexity | 1112.6833 |
Chemical Identifiers
| CAS Number | 105219-61-2 |
|---|---|
| SMILES | CCN(CC)C(=O)CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4Cl)C |
Product Overview
RefChem:309817 (CAS 105219-61-2), with molecular formula C22H24ClN5OS and molecular weight 441.14 g/mol. IUPAC: 3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-N,N-diethylpropanamide.
Chemical Property Profile of RefChem:309817
Property Insights of RefChem:309817
The XLogP value of 4.44262 indicates that RefChem:309817 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.38 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:309817. Following Lipinski's Rule of Five, RefChem:309817 has 0 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 RefChem:309817?
The CAS number of RefChem:309817 is 105219-61-2.
What is the molecular formula of RefChem:309817?
The molecular formula of RefChem:309817 is C22H24ClN5OS.
What is the molecular weight of RefChem:309817?
The molecular weight of RefChem:309817 is 441.14 g/mol.
Where can I buy RefChem:309817?
You can request a quote for RefChem:309817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:309817?
Yes, KEHONG BIO provides custom synthesis services for RefChem:309817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.