溴酸锂
TL;DR: 溴酸锂 (CAS 13550-28-2) is a chemical compound with molecular formula C12H17N3O and molecular weight 219.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴酸锂
1-[2-(aziridin-1-yl)ethyl]-3-(2-methylphenyl)urea
Also Known As: NCIOpen2_006936, 1-[2-(aziridin-1-yl)ethyl]-3-(2-methylphenyl)urea, Pyrazinecarboxylicacid,6-ethyl-(8CI), N-[2-(Aziridin-1-yl)ethyl]-N'-(2-methylphenyl)urea
| Molecular Formula | C12H17N3O |
|---|---|
| Molecular Weight | 219.14 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.13716 |
| Heavy Atoms | 16 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 13550-28-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)NCCN2CC2 |
| InChIKey | XJGRKLMNBUZKJE-UHFFFAOYSA-N |
Product Overview
溴酸锂 (CAS 13550-28-2), with molecular formula C12H17N3O and molecular weight 219.14 g/mol. IUPAC: 1-[2-(aziridin-1-yl)ethyl]-3-(2-methylphenyl)urea.
Chemical Property Profile of 溴酸锂
Property Insights of 溴酸锂
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 溴酸锂. With a topological polar surface area (TPSA) of 44.1 Ų, 溴酸锂 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴酸锂 has 2 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 溴酸锂?
The CAS number of 溴酸锂 is 13550-28-2.
What is the molecular formula of 溴酸锂?
The molecular formula of 溴酸锂 is C12H17N3O.
What is the molecular weight of 溴酸锂?
The molecular weight of 溴酸锂 is 219.14 g/mol.
Where can I buy 溴酸锂?
You can request a quote for 溴酸锂 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴酸锂?
Yes, KEHONG BIO provides custom synthesis services for 溴酸锂 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.