2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid
TL;DR: 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid (CAS 5977-88-8) is a chemical compound with molecular formula C27H22F6N4OS and molecular weight 564.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
Also Known As: 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid, N-[[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3,5-bis(trifluoromethyl)benzamide, N-{[4-(4-Methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-3,5-bis(trifluoromethyl)benzamide
| Molecular Formula | C27H22F6N4OS |
|---|---|
| Molecular Weight | 564.14 g/mol |
| LogP | 7.14404 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 564.14185 |
| Heavy Atoms | 39 |
| Complexity | 1446.8684 |
Chemical Identifiers
| CAS Number | 5977-88-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C)CNC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F |
Product Overview
2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid (CAS 5977-88-8), with molecular formula C27H22F6N4OS and molecular weight 564.14 g/mol. IUPAC: N-[[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3,5-bis(trifluoromethyl)benzamide.
Chemical Property Profile of 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid
Property Insights of 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid
The XLogP value of 7.14404 indicates that 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid?
The CAS number of 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid is 5977-88-8.
What is the molecular formula of 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid?
The molecular formula of 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid is C27H22F6N4OS.
What is the molecular weight of 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid?
The molecular weight of 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid is 564.14 g/mol.
Where can I buy 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid?
You can request a quote for 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.