BENZALDEHYDE,3-ETHOXY-5-METHOXY
TL;DR: BENZALDEHYDE,3-ETHOXY-5-METHOXY (CAS 681458-48-0) is a chemical compound with molecular formula C16H13ClN4OS and molecular weight 344.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-3-(2-methoxyphenyl)-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-(2-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-chlorophenyl)-3-(2-methoxyphenyl)-5,6-dihydro[1,2,4]tri, 6-(4-chlorophenyl)-3-(2-methoxyphenyl)-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-(2-methoxyphenyl)- (en)
| Molecular Formula | C16H13ClN4OS |
|---|---|
| Molecular Weight | 344.05 g/mol |
| LogP | 3.9551 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.04987 |
| Heavy Atoms | 23 |
| Complexity | 849.5415 |
Chemical Identifiers
| CAS Number | 681458-48-0 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=NN=C3N2NC(S3)C4=CC=C(C=C4)Cl |
Product Overview
BENZALDEHYDE,3-ETHOXY-5-METHOXY (CAS 681458-48-0), with molecular formula C16H13ClN4OS and molecular weight 344.05 g/mol. IUPAC: 6-(4-chlorophenyl)-3-(2-methoxyphenyl)-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 3.9551 indicates that BENZALDEHYDE,3-ETHOXY-5-METHOXY is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.97 Ų, BENZALDEHYDE,3-ETHOXY-5-METHOXY exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BENZALDEHYDE,3-ETHOXY-5-METHOXY has 1 hydrogen bond donor(s) and 5 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 681458-48-0.
What is the molecular formula of BENZALDEHYDE,3-ETHOXY-5-METHOXY?
The molecular formula of BENZALDEHYDE,3-ETHOXY-5-METHOXY is C16H13ClN4OS.
What is the molecular weight of BENZALDEHYDE,3-ETHOXY-5-METHOXY?
The molecular weight of BENZALDEHYDE,3-ETHOXY-5-METHOXY is 344.05 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.