RefChem:372197
TL;DR: RefChem:372197 (CAS 105219-67-8) is a chemical compound with molecular formula C23H25ClN6OS and molecular weight 468.15 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]-1-(4-methylpiperazin-1-yl)propan-1-one
Also Known As: Piperazine, 1-(3-(4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepin-2-yl)-1-oxopropyl)-4-methyl-, 3-[4-(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-methylpiperazin-1-yl)propan-1-one, RefChem:372197
| Molecular Formula | C23H25ClN6OS |
|---|---|
| Molecular Weight | 468.15 g/mol |
| LogP | 3.34822 |
| Topological Polar Surface Area | 66.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.1499 |
| Heavy Atoms | 32 |
| Complexity | 1191.0657 |
Chemical Identifiers
| CAS Number | 105219-67-8 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCN(CC4)C)C(=NC2)C5=CC=CC=C5Cl |
Product Overview
RefChem:372197 (CAS 105219-67-8), with molecular formula C23H25ClN6OS and molecular weight 468.15 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]-1-(4-methylpiperazin-1-yl)propan-1-one.
Chemical Property Profile of RefChem:372197
Property Insights of RefChem:372197
The XLogP value of 3.34822 indicates that RefChem:372197 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.62 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:372197. Following Lipinski's Rule of Five, RefChem:372197 has 0 hydrogen bond donor(s) and 6 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:372197?
The CAS number of RefChem:372197 is 105219-67-8.
What is the molecular formula of RefChem:372197?
The molecular formula of RefChem:372197 is C23H25ClN6OS.
What is the molecular weight of RefChem:372197?
The molecular weight of RefChem:372197 is 468.15 g/mol.
Where can I buy RefChem:372197?
You can request a quote for RefChem:372197 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:372197?
Yes, KEHONG BIO provides custom synthesis services for RefChem:372197 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.