1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine
TL;DR: 1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine (CAS 87813-72-7) is a chemical compound with molecular formula C22H26FN7O and molecular weight 423.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-[(5-fluoro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
Also Known As: 1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine, 1,3,5-Triazine-2,4-diamine, 6-(4-((5-fluoro-2-benzofuranyl)methyl)-1-piperazinyl)-N,N'-di-2-propenyl-, 2-[4-benzothiazol-2-yl-1-(4-fluorophenyl)imidazol-2-yl]sulfanylacetic acid, 1-(4,6-bis-allylamino-1,3,5-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine, 6-[4-[(5-fluoro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
| Molecular Formula | C22H26FN7O |
|---|---|
| Molecular Weight | 423.22 g/mol |
| LogP | 3.2749 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 423.2183 |
| Heavy Atoms | 31 |
| Complexity | 1028.9441 |
Chemical Identifiers
| CAS Number | 87813-72-7 |
|---|---|
| SMILES | C=CCNC1=NC(=NC(=N1)N2CCN(CC2)CC3=CC4=C(O3)C=CC(=C4)F)NCC=C |
Product Overview
1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine (CAS 87813-72-7), with molecular formula C22H26FN7O and molecular weight 423.22 g/mol. IUPAC: 6-[4-[(5-fluoro-1-benzofuran-2-yl)methyl]piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
Chemical Property Profile of 1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine
Property Insights of 1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine
The XLogP value of 3.2749 indicates that 1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine. Following Lipinski's Rule of Five, 1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine has 2 hydrogen bond donor(s) and 8 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-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine?
The CAS number of 1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine is 87813-72-7.
What is the molecular formula of 1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine?
The molecular formula of 1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine is C22H26FN7O.
What is the molecular weight of 1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine?
The molecular weight of 1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine is 423.22 g/mol.
Where can I buy 1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine?
You can request a quote for 1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,6-Bis-allylamino-s-triazin-2-yl)-4-(5-fluorobenzofuran-2-ylmethyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.