1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate
TL;DR: 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate (CAS 110785-30-3) is a chemical compound with molecular formula C13H15N3O3S and molecular weight 293.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile
Also Known As: KST-1A0541, Phenol,2-[3-(trimethylsilyl)propoxy], 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate, (5-methyl-2-phenyl-1h-imidazol-4-yl)acetonitrile methanesulfonate(1:1), 2-(4-Methyl-2-phenyl-1H-imidazol-5-yl)acetonitrile methanesulfonate
| Molecular Formula | C13H15N3O3S |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 1.9552 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.0834 |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 110785-30-3 |
|---|---|
| SMILES | CC1=C(N=C(N1)C2=CC=CC=C2)CC#N.CS(=O)(=O)O |
| InChIKey | JHJUWPIKMRPGFU-UHFFFAOYSA-N |
Product Overview
1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate (CAS 110785-30-3), with molecular formula C13H15N3O3S and molecular weight 293.08 g/mol. IUPAC: methanesulfonic acid;2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile.
Chemical Property Profile of 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate
Property Insights of 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate
The XLogP value of 1.9552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate. Following Lipinski's Rule of Five, 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate 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-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate?
The CAS number of 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate is 110785-30-3.
What is the molecular formula of 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate?
The molecular formula of 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate is C13H15N3O3S.
What is the molecular weight of 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate?
The molecular weight of 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate is 293.08 g/mol.
Where can I buy 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate?
You can request a quote for 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-4-acetonitrile, 5-methyl-2-phenyl-, monomethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.