BAS 05509701
TL;DR: BAS 05509701 (CAS 606947-40-4) is a chemical compound with molecular formula C20H17N3O4 and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
Also Known As: BAS 05509701, 5-((Benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-((m-tolyloxy)methyl)oxazole-4-carbonitrile, 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile, 5-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-2-m-tolyloxymethyl-oxazole-4-carbonitrile, 5-[(1,3-benzodioxol-5-ylmethyl)amino]-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
| Molecular Formula | C20H17N3O4 |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.12192 |
| Heavy Atoms | 27 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 606947-40-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC2=NC(=C(O2)NCC3=CC4=C(C=C3)OCO4)C#N |
| InChIKey | PECYTDMSIWTWMO-UHFFFAOYSA-N |
Product Overview
BAS 05509701 (CAS 606947-40-4), with molecular formula C20H17N3O4 and molecular weight 363.12 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of BAS 05509701
Property Insights of BAS 05509701
The XLogP value of 4.4 indicates that BAS 05509701 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05509701. Following Lipinski's Rule of Five, BAS 05509701 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 05509701?
The CAS number of BAS 05509701 is 606947-40-4.
What is the molecular formula of BAS 05509701?
The molecular formula of BAS 05509701 is C20H17N3O4.
What is the molecular weight of BAS 05509701?
The molecular weight of BAS 05509701 is 363.12 g/mol.
Where can I buy BAS 05509701?
You can request a quote for BAS 05509701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05509701?
Yes, KEHONG BIO provides custom synthesis services for BAS 05509701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.