RefChem:238761
TL;DR: RefChem:238761 (CAS 57000-34-7) is a chemical compound with molecular formula C14H18N4O4 and molecular weight 306.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-2-methyl-1H-indole nitrate
Also Known As: 2-Methyl-3-(imidazoline-2'-methyl)-5-methoxyindole nitrate, 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-2-methyl-, mononitrate, 3-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-2-methyl-1H-indole mononitrate, 3-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-2-methyl-1H-indole nitrate, RefChem:238761
| Molecular Formula | C14H18N4O4 |
|---|---|
| Molecular Weight | 306.13 g/mol |
| LogP | 0.76 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.1328 |
| Heavy Atoms | 22 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 57000-34-7 |
|---|---|
| SMILES | CC1=C(C2=C(N1)C=CC(=C2)OC)CC3=NCC[NH2+]3.[N+](=O)([O-])[O-] |
| InChIKey | AQEJAXYPYOGROY-UHFFFAOYSA-O |
Product Overview
RefChem:238761 (CAS 57000-34-7), with molecular formula C14H18N4O4 and molecular weight 306.13 g/mol. IUPAC: 3-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-2-methyl-1H-indole nitrate.
Chemical Property Profile of RefChem:238761
Property Insights of RefChem:238761
The XLogP value of 0.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:238761. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:238761. Following Lipinski's Rule of Five, RefChem:238761 has 2 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 RefChem:238761?
The CAS number of RefChem:238761 is 57000-34-7.
What is the molecular formula of RefChem:238761?
The molecular formula of RefChem:238761 is C14H18N4O4.
What is the molecular weight of RefChem:238761?
The molecular weight of RefChem:238761 is 306.13 g/mol.
Where can I buy RefChem:238761?
You can request a quote for RefChem:238761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:238761?
Yes, KEHONG BIO provides custom synthesis services for RefChem:238761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.