![ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate structure](/static/products/3526/352648-86-3.webp)
ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate
TL;DR: ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate (CAS 352648-86-3) is a chemical compound with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethylidene]amino]benzoate
Also Known As: ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate, ethyl 4-[[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethylidene]amino]benzoate, 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoic acid ethyl ester, 4-[[phenyl-(2,4,6-triketo-1,3-dimethyl-hexahydropyrimidin-5-ylidene)methyl]amino]benzoic acid ethyl ester, 4-{[(1,3-Dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidene)-phenyl-methyl]-amino}-benzoic acid ethyl ester
| Molecular Formula | C22H21N3O5 |
|---|---|
| Molecular Weight | 407.15 g/mol |
| LogP | 2.1354 |
| Topological Polar Surface Area | 102.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.14813 |
| Heavy Atoms | 30 |
| Complexity | 1222.6133 |
Chemical Identifiers
| CAS Number | 352648-86-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C(C2=CC=CC=C2)C3=C(N(C(=O)N(C3=O)C)C)O |
Product Overview
ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate (CAS 352648-86-3), with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol. IUPAC: ethyl 4-[[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethylidene]amino]benzoate.
Chemical Property Profile of ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate
Property Insights of ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate
The XLogP value of 2.1354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate. The TPSA of 102.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate 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 ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate?
The CAS number of ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate is 352648-86-3.
What is the molecular formula of ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate?
The molecular formula of ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate is C22H21N3O5.
What is the molecular weight of ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate?
The molecular weight of ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate is 407.15 g/mol.
Where can I buy ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate?
You can request a quote for ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-phenylmethyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.