BAS 05509638
TL;DR: BAS 05509638 (CAS 606946-85-4) is a chemical compound with molecular formula C21H20ClN3O4 and molecular weight 413.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-oxazole-4-carbonitrile
Also Known As: BAS 05509638, 2-[(2-chlorophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-oxazole-4-carbonitrile, 2-[(2-chlorophenoxy)methyl]-5-(homoveratrylamino)oxazole-4-carbonitrile, 2-[(2-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile, 2-((2-chlorophenoxy)methyl)-5-((3,4-dimethoxyphenethyl)amino)oxazole-4-carbonitrile
| Molecular Formula | C21H20ClN3O4 |
|---|---|
| Molecular Weight | 413.11 g/mol |
| LogP | 4.45048 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 413.11423 |
| Heavy Atoms | 29 |
| Complexity | 1013.40106 |
Chemical Identifiers
| CAS Number | 606946-85-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)COC3=CC=CC=C3Cl)C#N)OC |
Product Overview
BAS 05509638 (CAS 606946-85-4), with molecular formula C21H20ClN3O4 and molecular weight 413.11 g/mol. IUPAC: 2-[(2-chlorophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of BAS 05509638
Property Insights of BAS 05509638
The XLogP value of 4.45048 indicates that BAS 05509638 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 05509638. Following Lipinski's Rule of Five, BAS 05509638 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 05509638?
The CAS number of BAS 05509638 is 606946-85-4.
What is the molecular formula of BAS 05509638?
The molecular formula of BAS 05509638 is C21H20ClN3O4.
What is the molecular weight of BAS 05509638?
The molecular weight of BAS 05509638 is 413.11 g/mol.
Where can I buy BAS 05509638?
You can request a quote for BAS 05509638 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05509638?
Yes, KEHONG BIO provides custom synthesis services for BAS 05509638 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.