Imidazole Mustard
TL;DR: Imidazole Mustard (CAS 5034-77-5) is a chemical compound with molecular formula C8H12Cl2N6O and molecular weight 278.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)aminodiazenyl]-4H-imidazole-5-carboxamide
Also Known As: BIC mustard, TIC mustard, MCTIC, IMIDAZOLE MUSTARD, 4-[bis(2-chloroethyl)aminodiazenyl]-4H-imidazole-5-carboxamide
| Molecular Formula | C8H12Cl2N6O |
|---|---|
| Molecular Weight | 278.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 95.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.04495 |
| Heavy Atoms | 17 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 5034-77-5 |
|---|---|
| SMILES | C1=NC(C(=N1)C(=O)N)N=NN(CCCl)CCCl |
| InChIKey | HWZWQWYYZMCKAJ-UHFFFAOYSA-N |
Product Overview
Imidazole Mustard (CAS 5034-77-5), with molecular formula C8H12Cl2N6O and molecular weight 278.04 g/mol. IUPAC: 4-[bis(2-chloroethyl)aminodiazenyl]-4H-imidazole-5-carboxamide.
Chemical Property Profile of Imidazole Mustard
Property Insights of Imidazole Mustard
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazole Mustard. The TPSA of 95.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazole Mustard. Following Lipinski's Rule of Five, Imidazole Mustard has 1 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 Imidazole Mustard?
The CAS number of Imidazole Mustard is 5034-77-5.
What is the molecular formula of Imidazole Mustard?
The molecular formula of Imidazole Mustard is C8H12Cl2N6O.
What is the molecular weight of Imidazole Mustard?
The molecular weight of Imidazole Mustard is 278.04 g/mol.
Where can I buy Imidazole Mustard?
You can request a quote for Imidazole Mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole Mustard?
Yes, KEHONG BIO provides custom synthesis services for Imidazole Mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.