Histamine, 2-methoxycarbonyl-
TL;DR: Histamine, 2-methoxycarbonyl- (CAS 701192-59-8) is a chemical compound with molecular formula C7H11N3O2 and molecular weight 169.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(2-aminoethyl)-1H-imidazole-2-carboxylate
Also Known As: Histamine, 2-methoxycarbonyl-, methyl 5-(2-aminoethyl)-1H-imidazole-2-carboxylate, Methyl 4-(2-aminoethyl)-1H-imidazole-2-carboxylate #, 1H-Imidazole-2-carboxylic acid, 4-(2-aminoethyl)-, methyl ester (9CI)
| Molecular Formula | C7H11N3O2 |
|---|---|
| Molecular Weight | 169.09 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 81.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 169.08513 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 701192-59-8 |
|---|---|
| SMILES | COC(=O)C1=NC=C(N1)CCN |
| InChIKey | ZNHXGELUYZVYGV-UHFFFAOYSA-N |
Product Overview
Histamine, 2-methoxycarbonyl- (CAS 701192-59-8), with molecular formula C7H11N3O2 and molecular weight 169.09 g/mol. IUPAC: methyl 5-(2-aminoethyl)-1H-imidazole-2-carboxylate.
Chemical Property Profile of Histamine, 2-methoxycarbonyl-
Property Insights of Histamine, 2-methoxycarbonyl-
The XLogP value of -0.4 indicates that Histamine, 2-methoxycarbonyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Histamine, 2-methoxycarbonyl-. Following Lipinski's Rule of Five, Histamine, 2-methoxycarbonyl- has 2 hydrogen bond donor(s) and 4 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 Histamine, 2-methoxycarbonyl-?
The CAS number of Histamine, 2-methoxycarbonyl- is 701192-59-8.
What is the molecular formula of Histamine, 2-methoxycarbonyl-?
The molecular formula of Histamine, 2-methoxycarbonyl- is C7H11N3O2.
What is the molecular weight of Histamine, 2-methoxycarbonyl-?
The molecular weight of Histamine, 2-methoxycarbonyl- is 169.09 g/mol.
Where can I buy Histamine, 2-methoxycarbonyl-?
You can request a quote for Histamine, 2-methoxycarbonyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Histamine, 2-methoxycarbonyl-?
Yes, KEHONG BIO provides custom synthesis services for Histamine, 2-methoxycarbonyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.