1-(3-bromopropyl)-2-nitroimidazole
TL;DR: 1-(3-bromopropyl)-2-nitroimidazole (CAS 115398-67-9) is a chemical compound with molecular formula C10H10N4O3S and molecular weight 266.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-(1,3-benzodioxol-5-yloxymethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 1-(3-bromopropyl)-2-nitroimidazole, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-amino-5-((1,3-benzodioxol-5-yloxy)methyl)-, 2,4-Dihydro-4-amino-5-((1,3-benzodioxol-5-yloxy)methyl)-3H-1,2,4-triazole-3-thione, 4-amino-3-(1,3-benzodioxol-5-yloxymethyl)-1H-1,2,4-triazole-5-thione, 4-Amino-5-[(1,3-benzodioxol-5-yloxy)-methyl]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C10H10N4O3S |
|---|---|
| Molecular Weight | 266.05 g/mol |
| LogP | 0.96219 |
| Topological Polar Surface Area | 87.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.04736 |
| Heavy Atoms | 18 |
| Complexity | 636.2933 |
Chemical Identifiers
| CAS Number | 115398-67-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)OCC3=NNC(=S)N3N |
Product Overview
1-(3-bromopropyl)-2-nitroimidazole (CAS 115398-67-9), with molecular formula C10H10N4O3S and molecular weight 266.05 g/mol. IUPAC: 4-amino-3-(1,3-benzodioxol-5-yloxymethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 1-(3-bromopropyl)-2-nitroimidazole
Property Insights of 1-(3-bromopropyl)-2-nitroimidazole
The XLogP value of 0.96219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-bromopropyl)-2-nitroimidazole. The TPSA of 87.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-bromopropyl)-2-nitroimidazole. Following Lipinski's Rule of Five, 1-(3-bromopropyl)-2-nitroimidazole has 2 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-(3-bromopropyl)-2-nitroimidazole?
The CAS number of 1-(3-bromopropyl)-2-nitroimidazole is 115398-67-9.
What is the molecular formula of 1-(3-bromopropyl)-2-nitroimidazole?
The molecular formula of 1-(3-bromopropyl)-2-nitroimidazole is C10H10N4O3S.
What is the molecular weight of 1-(3-bromopropyl)-2-nitroimidazole?
The molecular weight of 1-(3-bromopropyl)-2-nitroimidazole is 266.05 g/mol.
Where can I buy 1-(3-bromopropyl)-2-nitroimidazole?
You can request a quote for 1-(3-bromopropyl)-2-nitroimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-bromopropyl)-2-nitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-bromopropyl)-2-nitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.