BAS 00672398
TL;DR: BAS 00672398 (CAS 331956-83-3) is a chemical compound with molecular formula C19H15ClN2O6 and molecular weight 402.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-2-(2-chloro-4-nitrophenyl)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
Also Known As: BAS 00672398, 2-{2-chloro-4-nitrophenyl}-4-(4-ethoxy-3-methoxybenzylidene)-1,3-oxazol-5(4H)-one, (4Z)-2-(2-chloro-4-nitrophenyl)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-1,3-oxazol-5-one, (Z)-2-(2-chloro-4-nitrophenyl)-4-(4-ethoxy-3-methoxybenzylidene)oxazol-5(4H)-one, (4Z)-2-(2-chloro-4-nitrophenyl)-4-(4-ethoxy-3-methoxybenzylidene)-1,3-oxazol-5(4H)-one
| Molecular Formula | C19H15ClN2O6 |
|---|---|
| Molecular Weight | 402.06 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 100.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.06186 |
| Heavy Atoms | 28 |
| Complexity | 1015.4786 |
Chemical Identifiers
| CAS Number | 331956-83-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)/C=C\2/C(=O)OC(=N2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC |
Product Overview
BAS 00672398 (CAS 331956-83-3), with molecular formula C19H15ClN2O6 and molecular weight 402.06 g/mol. IUPAC: (4Z)-2-(2-chloro-4-nitrophenyl)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-1,3-oxazol-5-one.
Chemical Property Profile of BAS 00672398
Property Insights of BAS 00672398
The XLogP value of 4.0 indicates that BAS 00672398 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.26 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00672398. Following Lipinski's Rule of Five, BAS 00672398 has 0 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 00672398?
The CAS number of BAS 00672398 is 331956-83-3.
What is the molecular formula of BAS 00672398?
The molecular formula of BAS 00672398 is C19H15ClN2O6.
What is the molecular weight of BAS 00672398?
The molecular weight of BAS 00672398 is 402.06 g/mol.
Where can I buy BAS 00672398?
You can request a quote for BAS 00672398 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00672398?
Yes, KEHONG BIO provides custom synthesis services for BAS 00672398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.