1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol
TL;DR: 1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol (CAS 109620-79-3) is a chemical compound with molecular formula C6H7ClN4O5 and molecular weight 250.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol
Also Known As: 1-chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol, 3-chloro-1-(4,5-dinitroimidazol-1-yl)propan-2-ol, 1-chloro-3-(4,5-dinitro-1H-imidazol-1-yl)propan-2-ol, 4,5-Dinitro-1-(3-chloro-2-hydroxypropyl)-1H-imidazole, 1-(4,5-Dinitro-1H-imidazole-1-yl)-3-chloro-2-propanol
| Molecular Formula | C6H7ClN4O5 |
|---|---|
| Molecular Weight | 250.01 g/mol |
| LogP | 0.2992 |
| Topological Polar Surface Area | 124.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.0105 |
| Heavy Atoms | 16 |
| Complexity | 419.05142 |
Chemical Identifiers
| CAS Number | 109620-79-3 |
|---|---|
| SMILES | C1=NC(=C(N1CC(CCl)O)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol (CAS 109620-79-3), with molecular formula C6H7ClN4O5 and molecular weight 250.01 g/mol. IUPAC: 1-chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol.
Chemical Property Profile of 1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol
Property Insights of 1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol
The XLogP value of 0.2992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol. The TPSA of 124.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol. Following Lipinski's Rule of Five, 1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol has 1 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 1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol?
The CAS number of 1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol is 109620-79-3.
What is the molecular formula of 1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol?
The molecular formula of 1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol is C6H7ClN4O5.
What is the molecular weight of 1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol?
The molecular weight of 1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol is 250.01 g/mol.
Where can I buy 1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol?
You can request a quote for 1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.