BENZALDEHYDE,3-ETHOXY-5-METHOXY
TL;DR: BENZALDEHYDE,3-ETHOXY-5-METHOXY (CAS 681459-05-2) is a chemical compound with molecular formula C37H51N11O4 and molecular weight 713.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[3-[4,6-bis(3,3-dimethylbutanoylamino)-1,3,5-triazin-2-yl]-5-cyanophenyl]-6-(3,3-dimethylbutanoylamino)-1,3,5-triazin-2-yl]-3,3-dimethylbutanamide
Also Known As: BENZALDEHYDE,3-ETHOXY-5-METHOXY, N-[4-[3-[4,6-bis(3,3-dimethylbutanoylamino)-1,3,5-triazin-2-yl]-5-cyanophenyl]-6-(3,3-dimethylbutanoylamino)-1,3,5-triazin-2-yl]-3,3-dimethylbutanamide, Butanamide, N,N',N'',N'''-[(5-cyano-1,3-phenylene)di-1,3,5-t, Butanamide, N,N',N'',N'''-[(5-cyano-1,3-phenylene)di-1,3,5-triazine-6,2,4-triyl]tetrakis[3,3-dimethyl- (en)
| Molecular Formula | C37H51N11O4 |
|---|---|
| Molecular Weight | 713.41 g/mol |
| LogP | 6.76108 |
| Topological Polar Surface Area | 217.53 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 713.41254 |
| Heavy Atoms | 52 |
| Complexity | 1650.2517 |
Chemical Identifiers
| CAS Number | 681459-05-2 |
|---|---|
| SMILES | CC(C)(C)CC(=O)NC1=NC(=NC(=N1)C2=CC(=CC(=C2)C#N)C3=NC(=NC(=N3)NC(=O)CC(C)(C)C)NC(=O)CC(C)(C)C)NC(=O)CC(C)(C)C |
Product Overview
BENZALDEHYDE,3-ETHOXY-5-METHOXY (CAS 681459-05-2), with molecular formula C37H51N11O4 and molecular weight 713.41 g/mol. IUPAC: N-[4-[3-[4,6-bis(3,3-dimethylbutanoylamino)-1,3,5-triazin-2-yl]-5-cyanophenyl]-6-(3,3-dimethylbutanoylamino)-1,3,5-triazin-2-yl]-3,3-dimethylbutanamide.
Chemical Property Profile of BENZALDEHYDE,3-ETHOXY-5-METHOXY
Property Insights of BENZALDEHYDE,3-ETHOXY-5-METHOXY
The XLogP value of 6.76108 indicates that BENZALDEHYDE,3-ETHOXY-5-METHOXY is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 217.53 Ų indicates high polarity, suggesting BENZALDEHYDE,3-ETHOXY-5-METHOXY may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BENZALDEHYDE,3-ETHOXY-5-METHOXY has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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 681459-05-2.
What is the molecular formula of BENZALDEHYDE,3-ETHOXY-5-METHOXY?
The molecular formula of BENZALDEHYDE,3-ETHOXY-5-METHOXY is C37H51N11O4.
What is the molecular weight of BENZALDEHYDE,3-ETHOXY-5-METHOXY?
The molecular weight of BENZALDEHYDE,3-ETHOXY-5-METHOXY is 713.41 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.