BENZALDEHYDE,3-ETHOXY-5-METHOXY
TL;DR: BENZALDEHYDE,3-ETHOXY-5-METHOXY (CAS 681458-40-2) is a chemical compound with molecular formula C17H16N4O3S and molecular weight 356.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-4-[3-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol
Also Known As: BENZALDEHYDE,3-ETHOXY-5-METHOXY, 2-methoxy-4-[3-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol, 2-methoxy-4-(3-(4-methoxyphenyl)-5,6-dihydro[1,2,4]triazolo[, 2-methoxy-4-(3-(4-methoxyphenyl)-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol (en)Phenol, 4-[5,6-dihydro-3-(4-methoxyphenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-methoxy- (en)
| Molecular Formula | C17H16N4O3S |
|---|---|
| Molecular Weight | 356.09 g/mol |
| LogP | 3.0159 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.0943 |
| Heavy Atoms | 25 |
| Complexity | 910.7565 |
Chemical Identifiers
| CAS Number | 681458-40-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C3N2NC(S3)C4=CC(=C(C=C4)O)OC |
Product Overview
BENZALDEHYDE,3-ETHOXY-5-METHOXY (CAS 681458-40-2), with molecular formula C17H16N4O3S and molecular weight 356.09 g/mol. IUPAC: 2-methoxy-4-[3-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol.
Chemical Property Profile of BENZALDEHYDE,3-ETHOXY-5-METHOXY
Property Insights of BENZALDEHYDE,3-ETHOXY-5-METHOXY
The XLogP value of 3.0159 indicates that BENZALDEHYDE,3-ETHOXY-5-METHOXY is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.43 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 2 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 BENZALDEHYDE,3-ETHOXY-5-METHOXY?
The CAS number of BENZALDEHYDE,3-ETHOXY-5-METHOXY is 681458-40-2.
What is the molecular formula of BENZALDEHYDE,3-ETHOXY-5-METHOXY?
The molecular formula of BENZALDEHYDE,3-ETHOXY-5-METHOXY is C17H16N4O3S.
What is the molecular weight of BENZALDEHYDE,3-ETHOXY-5-METHOXY?
The molecular weight of BENZALDEHYDE,3-ETHOXY-5-METHOXY is 356.09 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.