1-((2,3-Dihydro-5-benzofuranyl)methyl)-4-(2-thiazolyl)piperazine
TL;DR: 1-((2,3-Dihydro-5-benzofuranyl)methyl)-4-(2-thiazolyl)piperazine (CAS 55745-35-2) is a chemical compound with molecular formula C16H19N3OS and molecular weight 301.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-1,3-thiazole
Also Known As: S-3608 free base, 1-[methyl]-4-thiazol-2-ylpiperazine, 1-(Coumaran-5-ylmethyl)-4-(2-thiazolyl)piperazine, 1-[ methyl]-4-thiazol-2-ylpiperazine, 1-[(2,3-DIHYDRO-5-BENZOFURANYL)METHYL]-4-THIAZOL-2-YLPIPERAZINE
| Molecular Formula | C16H19N3OS |
|---|---|
| Molecular Weight | 301.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.12488 |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 55745-35-2 |
|---|---|
| SMILES | C1COC2=C1C=C(C=C2)CN3CCN(CC3)C4=NC=CS4 |
| InChIKey | PZGCFBVHUMLXBW-UHFFFAOYSA-N |
Product Overview
1-((2,3-Dihydro-5-benzofuranyl)methyl)-4-(2-thiazolyl)piperazine (CAS 55745-35-2), with molecular formula C16H19N3OS and molecular weight 301.12 g/mol. IUPAC: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-1,3-thiazole.
Chemical Property Profile of 1-((2,3-Dihydro-5-benzofuranyl)methyl)-4-(2-thiazolyl)piperazine
Property Insights of 1-((2,3-Dihydro-5-benzofuranyl)methyl)-4-(2-thiazolyl)piperazine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((2,3-Dihydro-5-benzofuranyl)methyl)-4-(2-thiazolyl)piperazine. With a topological polar surface area (TPSA) of 56.8 Ų, 1-((2,3-Dihydro-5-benzofuranyl)methyl)-4-(2-thiazolyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((2,3-Dihydro-5-benzofuranyl)methyl)-4-(2-thiazolyl)piperazine 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 1-((2,3-Dihydro-5-benzofuranyl)methyl)-4-(2-thiazolyl)piperazine?
The CAS number of 1-((2,3-Dihydro-5-benzofuranyl)methyl)-4-(2-thiazolyl)piperazine is 55745-35-2.
What is the molecular formula of 1-((2,3-Dihydro-5-benzofuranyl)methyl)-4-(2-thiazolyl)piperazine?
The molecular formula of 1-((2,3-Dihydro-5-benzofuranyl)methyl)-4-(2-thiazolyl)piperazine is C16H19N3OS.
What is the molecular weight of 1-((2,3-Dihydro-5-benzofuranyl)methyl)-4-(2-thiazolyl)piperazine?
The molecular weight of 1-((2,3-Dihydro-5-benzofuranyl)methyl)-4-(2-thiazolyl)piperazine is 301.12 g/mol.
Where can I buy 1-((2,3-Dihydro-5-benzofuranyl)methyl)-4-(2-thiazolyl)piperazine?
You can request a quote for 1-((2,3-Dihydro-5-benzofuranyl)methyl)-4-(2-thiazolyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((2,3-Dihydro-5-benzofuranyl)methyl)-4-(2-thiazolyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-((2,3-Dihydro-5-benzofuranyl)methyl)-4-(2-thiazolyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.