BAS 05509639
TL;DR: BAS 05509639 (CAS 606946-86-5) is a chemical compound with molecular formula C21H20FN3O4 and molecular weight 397.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
Also Known As: BAS 05509639, 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile, 5-((3,4-dimethoxyphenethyl)amino)-2-((4-fluorophenoxy)methyl)oxazole-4-carbonitrile, 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
| Molecular Formula | C21H20FN3O4 |
|---|---|
| Molecular Weight | 397.14 g/mol |
| LogP | 3.93618 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 397.1438 |
| Heavy Atoms | 29 |
| Complexity | 996.15106 |
Chemical Identifiers
| CAS Number | 606946-86-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)COC3=CC=C(C=C3)F)C#N)OC |
Product Overview
BAS 05509639 (CAS 606946-86-5), with molecular formula C21H20FN3O4 and molecular weight 397.14 g/mol. IUPAC: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-[(4-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of BAS 05509639
Property Insights of BAS 05509639
The XLogP value of 3.93618 indicates that BAS 05509639 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05509639. Following Lipinski's Rule of Five, BAS 05509639 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 05509639?
The CAS number of BAS 05509639 is 606946-86-5.
What is the molecular formula of BAS 05509639?
The molecular formula of BAS 05509639 is C21H20FN3O4.
What is the molecular weight of BAS 05509639?
The molecular weight of BAS 05509639 is 397.14 g/mol.
Where can I buy BAS 05509639?
You can request a quote for BAS 05509639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05509639?
Yes, KEHONG BIO provides custom synthesis services for BAS 05509639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.