1H-Imidazole-1-methanol, 4,5-dichloro-, phenylcarbamate (ester)
TL;DR: 1H-Imidazole-1-methanol, 4,5-dichloro-, phenylcarbamate (ester) (CAS 650592-37-3) is a chemical compound with molecular formula C11H9Cl2N3O2 and molecular weight 285.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5-dichloroimidazol-1-yl)methyl N-phenylcarbamate
Also Known As: 1H-Imidazole-1-methanol, 4,5-dichloro-, phenylcarbamate (ester), (4,5-dichloroimidazol-1-yl)methyl N-phenylcarbamate, (4,5-Dichloro-1H-imidazol-1-yl)methyl phenylcarbamate, (4,5-dichloro-1H-imidazol-1-yl)methyl N-phenylcarbamate, (4,5-Dichloro-1H-imidazol-1-yl)methyl phenylcarbamate #
| Molecular Formula | C11H9Cl2N3O2 |
|---|---|
| Molecular Weight | 285.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.00717 |
| Heavy Atoms | 18 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 650592-37-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)OCN2C=NC(=C2Cl)Cl |
| InChIKey | GHLABVFZTSBWNP-UHFFFAOYSA-N |
Product Overview
1H-Imidazole-1-methanol, 4,5-dichloro-, phenylcarbamate (ester) (CAS 650592-37-3), with molecular formula C11H9Cl2N3O2 and molecular weight 285.01 g/mol. IUPAC: (4,5-dichloroimidazol-1-yl)methyl N-phenylcarbamate.
Chemical Property Profile of 1H-Imidazole-1-methanol, 4,5-dichloro-, phenylcarbamate (ester)
Property Insights of 1H-Imidazole-1-methanol, 4,5-dichloro-, phenylcarbamate (ester)
The XLogP value of 3.2 indicates that 1H-Imidazole-1-methanol, 4,5-dichloro-, phenylcarbamate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.2 Ų, 1H-Imidazole-1-methanol, 4,5-dichloro-, phenylcarbamate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazole-1-methanol, 4,5-dichloro-, phenylcarbamate (ester) has 1 hydrogen bond donor(s) and 3 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-1-methanol, 4,5-dichloro-, phenylcarbamate (ester)?
The CAS number of 1H-Imidazole-1-methanol, 4,5-dichloro-, phenylcarbamate (ester) is 650592-37-3.
What is the molecular formula of 1H-Imidazole-1-methanol, 4,5-dichloro-, phenylcarbamate (ester)?
The molecular formula of 1H-Imidazole-1-methanol, 4,5-dichloro-, phenylcarbamate (ester) is C11H9Cl2N3O2.
What is the molecular weight of 1H-Imidazole-1-methanol, 4,5-dichloro-, phenylcarbamate (ester)?
The molecular weight of 1H-Imidazole-1-methanol, 4,5-dichloro-, phenylcarbamate (ester) is 285.01 g/mol.
Where can I buy 1H-Imidazole-1-methanol, 4,5-dichloro-, phenylcarbamate (ester)?
You can request a quote for 1H-Imidazole-1-methanol, 4,5-dichloro-, phenylcarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-1-methanol, 4,5-dichloro-, phenylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-1-methanol, 4,5-dichloro-, phenylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.