1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate
TL;DR: 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate (CAS 57000-32-5) is a chemical compound with molecular formula C13H16N4O4 and molecular weight 292.12 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-1H-indole nitrate
Also Known As: 3-(Imidazoline-2'-methyl)-5-methoxyindole nitrate, 3-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-1H-indole mononitrate, 1H-INDOLE, 3-((4,5-DIHYDRO-1H-IMIDAZOL-2-YL)METHYL)-5-METHOXY-, MONONITRATE, 3-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-1H-indole nitrate, RefChem:238760
| Molecular Formula | C13H16N4O4 |
|---|---|
| Molecular Weight | 292.12 g/mol |
| LogP | 0.46 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.11716 |
| Heavy Atoms | 21 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 57000-32-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC=C2CC3=NCC[NH2+]3.[N+](=O)([O-])[O-] |
| InChIKey | HKTWCBXIDJDYAU-UHFFFAOYSA-O |
Product Overview
1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate (CAS 57000-32-5), with molecular formula C13H16N4O4 and molecular weight 292.12 g/mol. IUPAC: 3-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-5-methoxy-1H-indole nitrate.
Chemical Property Profile of 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate
Property Insights of 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate
The XLogP value of 0.46 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate. Following Lipinski's Rule of Five, 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate 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 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate?
The CAS number of 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate is 57000-32-5.
What is the molecular formula of 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate?
The molecular formula of 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate is C13H16N4O4.
What is the molecular weight of 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate?
The molecular weight of 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate is 292.12 g/mol.
Where can I buy 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate?
You can request a quote for 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole, 3-((4,5-dihydro-1H-imidazol-2-yl)methyl)-5-methoxy-, mononitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.