1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro-
TL;DR: 1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro- (CAS 61981-98-4) is a chemical compound with molecular formula C9H12Cl2N4O3 and molecular weight 294.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-3-methyl-5-nitroimidazole-4-carboxamide
Also Known As: N,N-Bis(2-chloroethyl)-1-methyl-4-nitro-1H-imidazole-5-carboxamide, 1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro-, N,N-bis(2-chloroethyl)-3-methyl-5-nitroimidazole-4-carboxamide, BRN 0680355, RefChem:238268
| Molecular Formula | C9H12Cl2N4O3 |
|---|---|
| Molecular Weight | 294.03 g/mol |
| LogP | 1.2481 |
| Topological Polar Surface Area | 81.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.02866 |
| Heavy Atoms | 18 |
| Complexity | 443.02118 |
Chemical Identifiers
| CAS Number | 61981-98-4 |
|---|---|
| SMILES | CN1C=NC(=C1C(=O)N(CCCl)CCCl)[N+](=O)[O-] |
Product Overview
1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro- (CAS 61981-98-4), with molecular formula C9H12Cl2N4O3 and molecular weight 294.03 g/mol. IUPAC: N,N-bis(2-chloroethyl)-3-methyl-5-nitroimidazole-4-carboxamide.
Chemical Property Profile of 1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro-
Property Insights of 1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro-
The XLogP value of 1.2481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro-. The TPSA of 81.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro-. Following Lipinski's Rule of Five, 1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro- has 0 hydrogen bond donor(s) and 4 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-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro-?
The CAS number of 1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro- is 61981-98-4.
What is the molecular formula of 1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro-?
The molecular formula of 1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro- is C9H12Cl2N4O3.
What is the molecular weight of 1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro-?
The molecular weight of 1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro- is 294.03 g/mol.
Where can I buy 1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro-?
You can request a quote for 1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-5-carboxamide, N,N-bis(2-chloroethyl)-1-methyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.