RefChem:309816
TL;DR: RefChem:309816 (CAS 105219-64-5) is a chemical compound with molecular formula C20H20ClN5OS and molecular weight 413.11 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-dimethylpropanamide
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,9-trimethyl-, 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-dimethylpropanamide, RefChem:309816
| Molecular Formula | C20H20ClN5OS |
|---|---|
| Molecular Weight | 413.11 g/mol |
| LogP | 3.66242 |
| Topological Polar Surface Area | 63.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.1077 |
| Heavy Atoms | 28 |
| Complexity | 1082.2091 |
Chemical Identifiers
| CAS Number | 105219-64-5 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N(C)C)C(=NC2)C4=CC=CC=C4Cl |
Product Overview
RefChem:309816 (CAS 105219-64-5), with molecular formula C20H20ClN5OS and molecular weight 413.11 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-dimethylpropanamide.
Chemical Property Profile of RefChem:309816
Property Insights of RefChem:309816
The XLogP value of 3.66242 indicates that RefChem:309816 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:309816. Following Lipinski's Rule of Five, RefChem:309816 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:309816?
The CAS number of RefChem:309816 is 105219-64-5.
What is the molecular formula of RefChem:309816?
The molecular formula of RefChem:309816 is C20H20ClN5OS.
What is the molecular weight of RefChem:309816?
The molecular weight of RefChem:309816 is 413.11 g/mol.
Where can I buy RefChem:309816?
You can request a quote for RefChem:309816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:309816?
Yes, KEHONG BIO provides custom synthesis services for RefChem:309816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.