α-溴-β-(5-咪唑基)丙酸
TL;DR: α-溴-β-(5-咪唑基)丙酸 (CAS 35319-96-1) is a chemical compound with molecular formula C6H7BrN2O2 and molecular weight 217.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-溴-β-(5-咪唑基)丙酸
2-bromo-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: 2-bromo-3-(1h-imidazol-4-yl)propanoic acid, 2-bromo-3-(1H-imidazol-5-yl)propanoic acid, DL-alpha-Bromo-beta-(5-imidazolyl)propionic acid, 2-Bromo-3-(5-imidazolyl)propionate, alpha-Bromo-beta-(5-imidazolyl)propionic acid
| Molecular Formula | C6H7BrN2O2 |
|---|---|
| Molecular Weight | 217.97 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.96909 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 35319-96-1 |
|---|---|
| SMILES | C1=C(NC=N1)CC(C(=O)O)Br |
| InChIKey | CRTWOYOCILXSSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-溴-β-(5-咪唑基)丙酸 (CAS 35319-96-1), with molecular formula C6H7BrN2O2 and molecular weight 217.97 g/mol. IUPAC: 2-bromo-3-(1H-imidazol-5-yl)propanoic acid.
Chemical Property Profile of α-溴-β-(5-咪唑基)丙酸
Property Insights of α-溴-β-(5-咪唑基)丙酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-溴-β-(5-咪唑基)丙酸. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for α-溴-β-(5-咪唑基)丙酸. Following Lipinski's Rule of Five, α-溴-β-(5-咪唑基)丙酸 has 2 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 α-溴-β-(5-咪唑基)丙酸?
The CAS number of α-溴-β-(5-咪唑基)丙酸 is 35319-96-1.
What is the molecular formula of α-溴-β-(5-咪唑基)丙酸?
The molecular formula of α-溴-β-(5-咪唑基)丙酸 is C6H7BrN2O2.
What is the molecular weight of α-溴-β-(5-咪唑基)丙酸?
The molecular weight of α-溴-β-(5-咪唑基)丙酸 is 217.97 g/mol.
Where can I buy α-溴-β-(5-咪唑基)丙酸?
You can request a quote for α-溴-β-(5-咪唑基)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-溴-β-(5-咪唑基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for α-溴-β-(5-咪唑基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.