1-methyl-1H-Imidazole-5-carbonyl chloride
TL;DR: 1-methyl-1H-Imidazole-5-carbonyl chloride (CAS 41716-12-5) is a chemical compound with molecular formula C5H5ClN2O and molecular weight 144.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylimidazole-4-carbonyl chloride
Also Known As: 1-methyl-1H-Imidazole-5-carbonyl chloride, 1-methylimidazole-5-carbonyl chloride, 3-methylimidazole-4-carbonyl chloride, 1-methyl-1h-imidazole-5-carbonylchloride, 3-methyl-3H-imidazole-4-carbonyl chloride
| Molecular Formula | C5H5ClN2O |
|---|---|
| Molecular Weight | 144.01 g/mol |
| LogP | 0.7991 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.00903 |
| Heavy Atoms | 9 |
| Complexity | 230.61679 |
Chemical Identifiers
| CAS Number | 41716-12-5 |
|---|---|
| SMILES | CN1C=NC=C1C(=O)Cl |
Product Overview
1-methyl-1H-Imidazole-5-carbonyl chloride (CAS 41716-12-5), with molecular formula C5H5ClN2O and molecular weight 144.01 g/mol. IUPAC: 3-methylimidazole-4-carbonyl chloride.
Chemical Property Profile of 1-methyl-1H-Imidazole-5-carbonyl chloride
Property Insights of 1-methyl-1H-Imidazole-5-carbonyl chloride
The XLogP value of 0.7991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-1H-Imidazole-5-carbonyl chloride. With a topological polar surface area (TPSA) of 34.89 Ų, 1-methyl-1H-Imidazole-5-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-1H-Imidazole-5-carbonyl chloride has 0 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 1-methyl-1H-Imidazole-5-carbonyl chloride?
The CAS number of 1-methyl-1H-Imidazole-5-carbonyl chloride is 41716-12-5.
What is the molecular formula of 1-methyl-1H-Imidazole-5-carbonyl chloride?
The molecular formula of 1-methyl-1H-Imidazole-5-carbonyl chloride is C5H5ClN2O.
What is the molecular weight of 1-methyl-1H-Imidazole-5-carbonyl chloride?
The molecular weight of 1-methyl-1H-Imidazole-5-carbonyl chloride is 144.01 g/mol.
Where can I buy 1-methyl-1H-Imidazole-5-carbonyl chloride?
You can request a quote for 1-methyl-1H-Imidazole-5-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-1H-Imidazole-5-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-1H-Imidazole-5-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.