1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide
TL;DR: 1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide (CAS 454-66-0) is a chemical compound with molecular formula C5H12BrN3S and molecular weight 224.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;hydrobromide
Also Known As: 1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide, N-(4,5-Dihydro-2-thiazolyl)-1,2-ethanediamine hydrobromide, n-(4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine hydrobromide(1:1), N'-(4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine hydrobromide, N~1~-(4,5-Dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine--hydrogen bromide (1/1)
| Molecular Formula | C5H12BrN3S |
|---|---|
| Molecular Weight | 224.99 g/mol |
| LogP | 0.2154 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.99353 |
| Heavy Atoms | 10 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 454-66-0 |
|---|---|
| SMILES | C1CSC(=N1)NCCN.Br |
| InChIKey | WFMBWPBARCWBEX-UHFFFAOYSA-N |
Product Overview
1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide (CAS 454-66-0), with molecular formula C5H12BrN3S and molecular weight 224.99 g/mol. IUPAC: N'-(4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine;hydrobromide.
Chemical Property Profile of 1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide
Property Insights of 1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide
The XLogP value of 0.2154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide. Following Lipinski's Rule of Five, 1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide has 3 hydrogen bond donor(s) and 3 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 1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide?
The CAS number of 1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide is 454-66-0.
What is the molecular formula of 1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide?
The molecular formula of 1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide is C5H12BrN3S.
What is the molecular weight of 1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide?
The molecular weight of 1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide is 224.99 g/mol.
Where can I buy 1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide?
You can request a quote for 1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.