4-Iodohistamine
TL;DR: 4-Iodohistamine (CAS 22004-17-7) is a chemical compound with molecular formula C5H8IN3 and molecular weight 236.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-iodo-1H-imidazol-5-yl)ethanamine
Also Known As: 5-iodohistamine, 4-Iodohistamine, 5-Iodo-1H-imidazole-4-ethanamine, 2-(5-iodo-1H-imidazol-4-yl)ethanamine, 5-Iodo-1H-imidazole-4-(ethanamine)
| Molecular Formula | C5H8IN3 |
|---|---|
| Molecular Weight | 236.98 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.97629 |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 22004-17-7 |
|---|---|
| SMILES | C1=NC(=C(N1)CCN)I |
| InChIKey | VFGXPKFIDXTKNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Iodohistamine (CAS 22004-17-7), with molecular formula C5H8IN3 and molecular weight 236.98 g/mol. IUPAC: 2-(4-iodo-1H-imidazol-5-yl)ethanamine.
Chemical Property Profile of 4-Iodohistamine
Property Insights of 4-Iodohistamine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Iodohistamine. With a topological polar surface area (TPSA) of 54.7 Ų, 4-Iodohistamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodohistamine has 2 hydrogen bond donor(s) and 2 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 4-Iodohistamine?
The CAS number of 4-Iodohistamine is 22004-17-7.
What is the molecular formula of 4-Iodohistamine?
The molecular formula of 4-Iodohistamine is C5H8IN3.
What is the molecular weight of 4-Iodohistamine?
The molecular weight of 4-Iodohistamine is 236.98 g/mol.
Where can I buy 4-Iodohistamine?
You can request a quote for 4-Iodohistamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodohistamine?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodohistamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.