BAS 05509702
TL;DR: BAS 05509702 (CAS 606947-41-5) is a chemical compound with molecular formula C19H14ClN3O4 and molecular weight 383.07 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-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
Also Known As: BAS 05509702, 5-[(1,3-benzodioxol-5-ylmethyl)amino]-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile, 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile, 5-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-2-(4-chloro-phenoxymethyl)-oxazole-4-carbonitrile, 5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-((4-chlorophenoxy)methyl)oxazole-4-carbonitrile
| Molecular Formula | C19H14ClN3O4 |
|---|---|
| Molecular Weight | 383.07 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.0673 |
| Heavy Atoms | 27 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 606947-41-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC3=C(N=C(O3)COC4=CC=C(C=C4)Cl)C#N |
| InChIKey | PKFLWDOMAMRDNV-UHFFFAOYSA-N |
Product Overview
BAS 05509702 (CAS 606947-41-5), with molecular formula C19H14ClN3O4 and molecular weight 383.07 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylamino)-2-[(4-chlorophenoxy)methyl]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of BAS 05509702
Property Insights of BAS 05509702
The XLogP value of 4.7 indicates that BAS 05509702 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 05509702. Following Lipinski's Rule of Five, BAS 05509702 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 05509702?
The CAS number of BAS 05509702 is 606947-41-5.
What is the molecular formula of BAS 05509702?
The molecular formula of BAS 05509702 is C19H14ClN3O4.
What is the molecular weight of BAS 05509702?
The molecular weight of BAS 05509702 is 383.07 g/mol.
Where can I buy BAS 05509702?
You can request a quote for BAS 05509702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05509702?
Yes, KEHONG BIO provides custom synthesis services for BAS 05509702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.