Bas 01557661
TL;DR: Bas 01557661 (CAS 77758-79-3) is a chemical compound with molecular formula C11H8FN3O3 and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
Also Known As: BAS 01557661, 5-(4-Fluoro-phenylcarbamoyl)-3H-imidazole-4-carboxylic acid, 4-[(4-fluorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid, 4-((4-fluorophenyl)carbamoyl)-1H-imidazole-5-carboxylic acid, (Perfluoro-n-propyl)phenyliodonium trifluoro-methanesulfonate
| Molecular Formula | C11H8FN3O3 |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.05496 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 77758-79-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C2=C(NC=N2)C(=O)O)F |
| InChIKey | VRQZJKLTBLHHHP-UHFFFAOYSA-N |
Product Overview
Bas 01557661 (CAS 77758-79-3), with molecular formula C11H8FN3O3 and molecular weight 249.05 g/mol. IUPAC: 4-[(4-fluorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid.
Chemical Property Profile of Bas 01557661
Property Insights of Bas 01557661
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bas 01557661. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bas 01557661. Following Lipinski's Rule of Five, Bas 01557661 has 3 hydrogen bond donor(s) and 5 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 Bas 01557661?
The CAS number of Bas 01557661 is 77758-79-3.
What is the molecular formula of Bas 01557661?
The molecular formula of Bas 01557661 is C11H8FN3O3.
What is the molecular weight of Bas 01557661?
The molecular weight of Bas 01557661 is 249.05 g/mol.
Where can I buy Bas 01557661?
You can request a quote for Bas 01557661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bas 01557661?
Yes, KEHONG BIO provides custom synthesis services for Bas 01557661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.