BAS 05509546
TL;DR: BAS 05509546 (CAS 606945-87-3) is a chemical compound with molecular formula C16H12ClN3O3 and molecular weight 329.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile
Also Known As: BAS 05509546, AB01305614-01, 2-[(4-chlorophenoxy)methyl]-5-[(furan-2-ylmethyl)amino]-1,3-oxazole-4-carbonitrile, 2-((4-chlorophenoxy)methyl)-5-((furan-2-ylmethyl)amino)oxazole-4-carbonitrile, 2-(4-Chloro-phenoxymethyl)-5-[(furan-2-ylmethyl)-amino]-oxazole-4-carbonitrile
| Molecular Formula | C16H12ClN3O3 |
|---|---|
| Molecular Weight | 329.06 g/mol |
| LogP | 3.98378 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.05673 |
| Heavy Atoms | 23 |
| Complexity | 804.2156 |
Chemical Identifiers
| CAS Number | 606945-87-3 |
|---|---|
| SMILES | C1=COC(=C1)CNC2=C(N=C(O2)COC3=CC=C(C=C3)Cl)C#N |
Product Overview
BAS 05509546 (CAS 606945-87-3), with molecular formula C16H12ClN3O3 and molecular weight 329.06 g/mol. IUPAC: 2-[(4-chlorophenoxy)methyl]-5-(furan-2-ylmethylamino)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of BAS 05509546
Property Insights of BAS 05509546
The XLogP value of 3.98378 indicates that BAS 05509546 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05509546. Following Lipinski's Rule of Five, BAS 05509546 has 1 hydrogen bond donor(s) and 6 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 05509546?
The CAS number of BAS 05509546 is 606945-87-3.
What is the molecular formula of BAS 05509546?
The molecular formula of BAS 05509546 is C16H12ClN3O3.
What is the molecular weight of BAS 05509546?
The molecular weight of BAS 05509546 is 329.06 g/mol.
Where can I buy BAS 05509546?
You can request a quote for BAS 05509546 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05509546?
Yes, KEHONG BIO provides custom synthesis services for BAS 05509546 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.