BENZALDEHYDE,3-ETHOXY-5-METHOXY
TL;DR: BENZALDEHYDE,3-ETHOXY-5-METHOXY (CAS 681458-72-0) is a chemical compound with molecular formula C19H21N5OS and molecular weight 367.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-ethoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylaniline
Also Known As: BENZALDEHYDE,3-ETHOXY-5-METHOXY, 4-[3-(4-ethoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylaniline, 4-(3-(4-ethoxyphenyl)-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dimethylaniline (en)Benzenamine, 4-[3-(4-ethoxyphenyl)-5,6-dihydro-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethyl- (en)
| Molecular Formula | C19H21N5OS |
|---|---|
| Molecular Weight | 367.15 g/mol |
| LogP | 3.7578 |
| Topological Polar Surface Area | 55.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.14667 |
| Heavy Atoms | 26 |
| Complexity | 889.29785 |
Chemical Identifiers
| CAS Number | 681458-72-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NN=C3N2NC(S3)C4=CC=C(C=C4)N(C)C |
Product Overview
BENZALDEHYDE,3-ETHOXY-5-METHOXY (CAS 681458-72-0), with molecular formula C19H21N5OS and molecular weight 367.15 g/mol. IUPAC: 4-[3-(4-ethoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylaniline.
Chemical Property Profile of BENZALDEHYDE,3-ETHOXY-5-METHOXY
Property Insights of BENZALDEHYDE,3-ETHOXY-5-METHOXY
The XLogP value of 3.7578 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 55.21 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 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 681458-72-0.
What is the molecular formula of BENZALDEHYDE,3-ETHOXY-5-METHOXY?
The molecular formula of BENZALDEHYDE,3-ETHOXY-5-METHOXY is C19H21N5OS.
What is the molecular weight of BENZALDEHYDE,3-ETHOXY-5-METHOXY?
The molecular weight of BENZALDEHYDE,3-ETHOXY-5-METHOXY is 367.15 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.