2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid
TL;DR: 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid (CAS 5977-63-9) is a chemical compound with molecular formula C28H38N4OS and molecular weight 478.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]nonanamide
Also Known As: 2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid, N-[1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]nonanamide, N-{1-[4-(4-Methylphenyl)-5-{[(3-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]ethyl}nonanamide
| Molecular Formula | C28H38N4OS |
|---|---|
| Molecular Weight | 478.28 g/mol |
| LogP | 7.10424 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 478.27664 |
| Heavy Atoms | 34 |
| Complexity | 1044.8146 |
Chemical Identifiers
| CAS Number | 5977-63-9 |
|---|---|
| SMILES | CCCCCCCCC(=O)NC(C)C1=NN=C(N1C2=CC=C(C=C2)C)SCC3=CC=CC(=C3)C |
Product Overview
2-Iodmethyl-1,5-pyrido-pyrrolidinium-iodid (CAS 5977-63-9), with molecular formula C28H38N4OS and molecular weight 478.28 g/mol. IUPAC: N-[1-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]nonanamide.
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 7.10424 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 5977-63-9.
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 C28H38N4OS.
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 478.28 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.