4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate
TL;DR: 4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate (CAS 878719-53-0) is a chemical compound with molecular formula C14H15N3O5 and molecular weight 305.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl)methyl 2-(2-methyl-5-nitroimidazol-1-yl)acetate
Also Known As: ASN 12743595, 4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate, (4-methoxyphenyl)methyl 2-(2-methyl-5-nitroimidazol-1-yl)acetate, (2-Methyl-5-nitro-imidazol-1-yl)-acetic acid 4-methoxy-benzyl ester
| Molecular Formula | C14H15N3O5 |
|---|---|
| Molecular Weight | 305.10 g/mol |
| LogP | 1.85172 |
| Topological Polar Surface Area | 96.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.10117 |
| Heavy Atoms | 22 |
| Complexity | 678.2868 |
Chemical Identifiers
| CAS Number | 878719-53-0 |
|---|---|
| SMILES | CC1=NC=C(N1CC(=O)OCC2=CC=C(C=C2)OC)[N+](=O)[O-] |
Product Overview
4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate (CAS 878719-53-0), with molecular formula C14H15N3O5 and molecular weight 305.10 g/mol. IUPAC: (4-methoxyphenyl)methyl 2-(2-methyl-5-nitroimidazol-1-yl)acetate.
Chemical Property Profile of 4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate
Property Insights of 4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate
The XLogP value of 1.85172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate. The TPSA of 96.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate. Following Lipinski's Rule of Five, 4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate has 0 hydrogen bond donor(s) and 6 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 4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate?
The CAS number of 4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate is 878719-53-0.
What is the molecular formula of 4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate?
The molecular formula of 4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate is C14H15N3O5.
What is the molecular weight of 4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate?
The molecular weight of 4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate is 305.10 g/mol.
Where can I buy 4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate?
You can request a quote for 4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxybenzyl (2-methyl-5-nitro-1H-imidazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.