![diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate structure](/static/products/5142/5142-14-3.webp)
diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate
TL;DR: diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate (CAS 5142-14-3) is a chemical compound with molecular formula C29H32N8O5S and molecular weight 604.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate
Also Known As: diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate, diethyl n-[4-({[7-amino-5-(benzylsulfanyl)pyrimido[5,4-e][1,2,4]triazin-3-yl]methyl}amino)benzoyl]glutamate
| Molecular Formula | C29H32N8O5S |
|---|---|
| Molecular Weight | 604.22 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 604.2216 |
| Heavy Atoms | 43 |
| Complexity | 889.0 |
Chemical Identifiers
| CAS Number | 5142-14-3 |
|---|---|
| SMILES | CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=NC3=C(N=C(N=C3SCC4=CC=CC=C4)N)N=N2 |
| InChIKey | OCVARKXPQXJUBN-UHFFFAOYSA-N |
Product Overview
diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate (CAS 5142-14-3), with molecular formula C29H32N8O5S and molecular weight 604.22 g/mol. IUPAC: diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate.
Chemical Property Profile of diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate
Property Insights of diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate. The TPSA of 210.0 Ų indicates high polarity, suggesting diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate?
The CAS number of diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate is 5142-14-3.
What is the molecular formula of diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate?
The molecular formula of diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate is C29H32N8O5S.
What is the molecular weight of diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate?
The molecular weight of diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate is 604.22 g/mol.
Where can I buy diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate?
You can request a quote for diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-[[4-[(7-amino-5-benzylsulfanylpyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.