(5-Amino-4-dichloromethyl-2-phenyl-4H-imidazol-4-YL)-carbamic acid methyl ester
TL;DR: (5-Amino-4-dichloromethyl-2-phenyl-4H-imidazol-4-YL)-carbamic acid methyl ester (CAS 201992-50-9) is a chemical compound with molecular formula C12H12Cl2N4O2 and molecular weight 314.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]carbamate
Also Known As: BIM-0009138.P001, (5-AMINO-4-DICHLOROMETHYL-2-PHENYL-4H-IMIDAZOL-4-YL)-CARBAMIC ACID METHYL ESTER, methyl N-[5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]carbamate, methyl (4-(dichloromethyl)-5-imino-2-phenyl-4,5-dihydro-1H-imidazol-4-yl)carbamate
| Molecular Formula | C12H12Cl2N4O2 |
|---|---|
| Molecular Weight | 314.03 g/mol |
| LogP | 1.66 |
| Topological Polar Surface Area | 89.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.03372 |
| Heavy Atoms | 20 |
| Complexity | 574.0799 |
Chemical Identifiers
| CAS Number | 201992-50-9 |
|---|---|
| SMILES | COC(=O)NC1(C(=NC(=N1)C2=CC=CC=C2)N)C(Cl)Cl |
Product Overview
(5-Amino-4-dichloromethyl-2-phenyl-4H-imidazol-4-YL)-carbamic acid methyl ester (CAS 201992-50-9), with molecular formula C12H12Cl2N4O2 and molecular weight 314.03 g/mol. IUPAC: methyl N-[5-amino-4-(dichloromethyl)-2-phenylimidazol-4-yl]carbamate.
Chemical Property Profile of (5-Amino-4-dichloromethyl-2-phenyl-4H-imidazol-4-YL)-carbamic acid methyl ester
Property Insights of (5-Amino-4-dichloromethyl-2-phenyl-4H-imidazol-4-YL)-carbamic acid methyl ester
The XLogP value of 1.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Amino-4-dichloromethyl-2-phenyl-4H-imidazol-4-YL)-carbamic acid methyl ester. The TPSA of 89.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Amino-4-dichloromethyl-2-phenyl-4H-imidazol-4-YL)-carbamic acid methyl ester. Following Lipinski's Rule of Five, (5-Amino-4-dichloromethyl-2-phenyl-4H-imidazol-4-YL)-carbamic acid methyl ester 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 (5-Amino-4-dichloromethyl-2-phenyl-4H-imidazol-4-YL)-carbamic acid methyl ester?
The CAS number of (5-Amino-4-dichloromethyl-2-phenyl-4H-imidazol-4-YL)-carbamic acid methyl ester is 201992-50-9.
What is the molecular formula of (5-Amino-4-dichloromethyl-2-phenyl-4H-imidazol-4-YL)-carbamic acid methyl ester?
The molecular formula of (5-Amino-4-dichloromethyl-2-phenyl-4H-imidazol-4-YL)-carbamic acid methyl ester is C12H12Cl2N4O2.
What is the molecular weight of (5-Amino-4-dichloromethyl-2-phenyl-4H-imidazol-4-YL)-carbamic acid methyl ester?
The molecular weight of (5-Amino-4-dichloromethyl-2-phenyl-4H-imidazol-4-YL)-carbamic acid methyl ester is 314.03 g/mol.
Where can I buy (5-Amino-4-dichloromethyl-2-phenyl-4H-imidazol-4-YL)-carbamic acid methyl ester?
You can request a quote for (5-Amino-4-dichloromethyl-2-phenyl-4H-imidazol-4-YL)-carbamic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Amino-4-dichloromethyl-2-phenyl-4H-imidazol-4-YL)-carbamic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (5-Amino-4-dichloromethyl-2-phenyl-4H-imidazol-4-YL)-carbamic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.