BENZALDEHYDE,3-ETHOXY-5-METHOXY
TL;DR: BENZALDEHYDE,3-ETHOXY-5-METHOXY (CAS 681458-63-9) is a chemical compound with molecular formula C15H10ClN5O2S and molecular weight 359.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-3-(4-nitrophenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BENZALDEHYDE,3-ETHOXY-5-METHOXY, 6-(4-chlorophenyl)-3-(4-nitrophenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-chlorophenyl)-3-(4-nitrophenyl)-5,6-dihydro[1,2,4]triaz, 6-(4-chlorophenyl)-3-(4-nitrophenyl)-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (en)1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-chlorophenyl)-5,6-dihydro-3-(4-nitrophenyl)- (en)
| Molecular Formula | C15H10ClN5O2S |
|---|---|
| Molecular Weight | 359.02 g/mol |
| LogP | 3.8547 |
| Topological Polar Surface Area | 85.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.02438 |
| Heavy Atoms | 24 |
| Complexity | 910.6188 |
Chemical Identifiers
| CAS Number | 681458-63-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2NN3C(=NN=C3S2)C4=CC=C(C=C4)[N+](=O)[O-])Cl |
Product Overview
BENZALDEHYDE,3-ETHOXY-5-METHOXY (CAS 681458-63-9), with molecular formula C15H10ClN5O2S and molecular weight 359.02 g/mol. IUPAC: 6-(4-chlorophenyl)-3-(4-nitrophenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BENZALDEHYDE,3-ETHOXY-5-METHOXY
Property Insights of BENZALDEHYDE,3-ETHOXY-5-METHOXY
The XLogP value of 3.8547 indicates that BENZALDEHYDE,3-ETHOXY-5-METHOXY is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.88 Ų falls within the moderate polarity range, balancing permeability and solubility for BENZALDEHYDE,3-ETHOXY-5-METHOXY. Following Lipinski's Rule of Five, BENZALDEHYDE,3-ETHOXY-5-METHOXY has 1 hydrogen bond donor(s) and 6 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 BENZALDEHYDE,3-ETHOXY-5-METHOXY?
The CAS number of BENZALDEHYDE,3-ETHOXY-5-METHOXY is 681458-63-9.
What is the molecular formula of BENZALDEHYDE,3-ETHOXY-5-METHOXY?
The molecular formula of BENZALDEHYDE,3-ETHOXY-5-METHOXY is C15H10ClN5O2S.
What is the molecular weight of BENZALDEHYDE,3-ETHOXY-5-METHOXY?
The molecular weight of BENZALDEHYDE,3-ETHOXY-5-METHOXY is 359.02 g/mol.
Where can I buy BENZALDEHYDE,3-ETHOXY-5-METHOXY?
You can request a quote for BENZALDEHYDE,3-ETHOXY-5-METHOXY directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BENZALDEHYDE,3-ETHOXY-5-METHOXY?
Yes, KEHONG BIO provides custom synthesis services for BENZALDEHYDE,3-ETHOXY-5-METHOXY and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.