BAS 05509633
TL;DR: BAS 05509633 (CAS 606946-80-9) is a chemical compound with molecular formula C21H21N3O4 and molecular weight 379.15 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-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
Also Known As: BAS 05509633, 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile, AF-399/41669075, 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile, 5-((3,4-dimethoxyphenethyl)amino)-2-(phenoxymethyl)oxazole-4-carbonitrile
| Molecular Formula | C21H21N3O4 |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 3.79708 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 379.1532 |
| Heavy Atoms | 28 |
| Complexity | 948.0297 |
Chemical Identifiers
| CAS Number | 606946-80-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=C(N=C(O2)COC3=CC=CC=C3)C#N)OC |
Product Overview
BAS 05509633 (CAS 606946-80-9), with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol. IUPAC: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of BAS 05509633
Property Insights of BAS 05509633
The XLogP value of 3.79708 indicates that BAS 05509633 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 05509633. Following Lipinski's Rule of Five, BAS 05509633 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 05509633?
The CAS number of BAS 05509633 is 606946-80-9.
What is the molecular formula of BAS 05509633?
The molecular formula of BAS 05509633 is C21H21N3O4.
What is the molecular weight of BAS 05509633?
The molecular weight of BAS 05509633 is 379.15 g/mol.
Where can I buy BAS 05509633?
You can request a quote for BAS 05509633 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05509633?
Yes, KEHONG BIO provides custom synthesis services for BAS 05509633 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.