BAS 05509531
TL;DR: BAS 05509531 (CAS 606945-72-6) is a chemical compound with molecular formula C18H22N4O3 and molecular weight 342.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methylphenoxy)methyl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile
Also Known As: BAS 05509531, AB01314825-01, 2-[(2-methylphenoxy)methyl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile, AF-399/41669138, 5-(2-Morpholin-4-yl-ethylamino)-2-o-tolyloxymethyl-oxazole-4-carbonitrile
| Molecular Formula | C18H22N4O3 |
|---|---|
| Molecular Weight | 342.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.1692 |
| Heavy Atoms | 25 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 606945-72-6 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NC(=C(O2)NCCN3CCOCC3)C#N |
| InChIKey | TYSHPYKUYXODRJ-UHFFFAOYSA-N |
Product Overview
BAS 05509531 (CAS 606945-72-6), with molecular formula C18H22N4O3 and molecular weight 342.17 g/mol. IUPAC: 2-[(2-methylphenoxy)methyl]-5-(2-morpholin-4-ylethylamino)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of BAS 05509531
Property Insights of BAS 05509531
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05509531. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05509531. Following Lipinski's Rule of Five, BAS 05509531 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 05509531?
The CAS number of BAS 05509531 is 606945-72-6.
What is the molecular formula of BAS 05509531?
The molecular formula of BAS 05509531 is C18H22N4O3.
What is the molecular weight of BAS 05509531?
The molecular weight of BAS 05509531 is 342.17 g/mol.
Where can I buy BAS 05509531?
You can request a quote for BAS 05509531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05509531?
Yes, KEHONG BIO provides custom synthesis services for BAS 05509531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.