BAS 05509549
TL;DR: BAS 05509549 (CAS 606945-92-0) is a chemical compound with molecular formula C16H12FN3O3 and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
Also Known As: BAS 05509549, 2-((2-fluorophenoxy)methyl)-5-((furan-2-ylmethyl)amino)oxazole-4-carbonitrile, 2-(2-Fluoro-phenoxymethyl)-5-[(furan-2-ylmethyl)-amino]-oxazole-4-carbonitrile, 2-[(2-fluorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile, 2-[(2-fluorophenoxy)methyl]-5-[(furan-2-ylmethyl)amino]-1,3-oxazole-4-carbonitrile
| Molecular Formula | C16H12FN3O3 |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.08627 |
| Heavy Atoms | 23 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 606945-92-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OCC2=NC(=C(O2)NCC3=CC=CO3)C#N)F |
| InChIKey | HAPJEDKTXPLARC-UHFFFAOYSA-N |
Product Overview
BAS 05509549 (CAS 606945-92-0), with molecular formula C16H12FN3O3 and molecular weight 313.09 g/mol. IUPAC: 2-[(2-fluorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of BAS 05509549
Property Insights of BAS 05509549
The XLogP value of 3.5 indicates that BAS 05509549 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05509549. Following Lipinski's Rule of Five, BAS 05509549 has 1 hydrogen bond donor(s) and 7 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 05509549?
The CAS number of BAS 05509549 is 606945-92-0.
What is the molecular formula of BAS 05509549?
The molecular formula of BAS 05509549 is C16H12FN3O3.
What is the molecular weight of BAS 05509549?
The molecular weight of BAS 05509549 is 313.09 g/mol.
Where can I buy BAS 05509549?
You can request a quote for BAS 05509549 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05509549?
Yes, KEHONG BIO provides custom synthesis services for BAS 05509549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.