RefChem:1055430
TL;DR: RefChem:1055430 (CAS 73688-70-7) is a chemical compound with molecular formula C12H14BrN3 and molecular weight 279.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-prop-2-ynylbenzimidazol-3-ium-2-amine bromide
Also Known As: 2-Amino-1-ethyl-3-(2-propynyl)benzimidazole bromide, BENZIMIDAZOLE, 2-AMINO-1-ETHYL-3-(2-PROPYNYL)-, BROMIDE, 1-ethyl-3-prop-2-ynylbenzimidazol-3-ium-2-amine bromide, 1-Ethyl-3-(prop-2-yn-1-yl)-1,3-dihydro-2H-benzimidazol-2-imine--hydrogen bromide (1/1), 2H-Benzimidazol-2-imine, 1-ethyl-1,3-dihydro-3-(2-propynyl)-, monohydrobromide
| Molecular Formula | C12H14BrN3 |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | -1.83 |
| Topological Polar Surface Area | 34.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.0371 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 73688-70-7 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2[N+](=C1N)CC#C.[Br-] |
| InChIKey | DOUDIVRRKNMTAJ-UHFFFAOYSA-N |
Product Overview
RefChem:1055430 (CAS 73688-70-7), with molecular formula C12H14BrN3 and molecular weight 279.04 g/mol. IUPAC: 1-ethyl-3-prop-2-ynylbenzimidazol-3-ium-2-amine bromide.
Chemical Property Profile of RefChem:1055430
Property Insights of RefChem:1055430
The XLogP value of -1.83 indicates that RefChem:1055430 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.8 Ų, RefChem:1055430 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1055430 has 1 hydrogen bond donor(s) and 2 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 RefChem:1055430?
The CAS number of RefChem:1055430 is 73688-70-7.
What is the molecular formula of RefChem:1055430?
The molecular formula of RefChem:1055430 is C12H14BrN3.
What is the molecular weight of RefChem:1055430?
The molecular weight of RefChem:1055430 is 279.04 g/mol.
Where can I buy RefChem:1055430?
You can request a quote for RefChem:1055430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1055430?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1055430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.