![ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate structure](/static/products/7505/750520-40-2.webp)
ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate
TL;DR: ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate (CAS 750520-40-2) is a chemical compound with molecular formula C19H25ClN8O2 and molecular weight 432.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate
Also Known As: ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate, Ethyl 4-[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenylbenzoate, ethyl 4-[(e)-{2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl}diazenyl]benzoate, Ethyl 4-[2-[2,4-diamino-6-[4-(2-chloroethyl)-1-piperazinyl]-5-pyrimidinyl]diazenyl]benzoate
| Molecular Formula | C19H25ClN8O2 |
|---|---|
| Molecular Weight | 432.18 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 432.1789 |
| Heavy Atoms | 30 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 750520-40-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2N3CCN(CC3)CCCl)N)N |
| InChIKey | UDXABHZLBAJDSO-UHFFFAOYSA-N |
Product Overview
ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate (CAS 750520-40-2), with molecular formula C19H25ClN8O2 and molecular weight 432.18 g/mol. IUPAC: ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate.
Chemical Property Profile of ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate
Property Insights of ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate has 2 hydrogen bond donor(s) and 10 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-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate?
The CAS number of ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate is 750520-40-2.
What is the molecular formula of ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate?
The molecular formula of ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate is C19H25ClN8O2.
What is the molecular weight of ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate?
The molecular weight of ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate is 432.18 g/mol.
Where can I buy ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate?
You can request a quote for ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]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-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-1-yl]pyrimidin-5-yl]diazenyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.