Dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate (CAS 681459-10-9) is a chemical compound with molecular formula C13H13N5O4 and molecular weight 303.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate
Also Known As: BENZALDEHYDE,3-ETHOXY-5-METHOXY, dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate, dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)isophthalate (en), dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)isophthalate (en)1,3-Benzenedicarboxylic acid, 5-(4,6-diamino-1,3,5-triazin-2-yl)-, dimethyl ester (en)
| Molecular Formula | C13H13N5O4 |
|---|---|
| Molecular Weight | 303.10 g/mol |
| LogP | 0.2762 |
| Topological Polar Surface Area | 143.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.09674 |
| Heavy Atoms | 22 |
| Complexity | 692.70544 |
Chemical Identifiers
| CAS Number | 681459-10-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)C2=NC(=NC(=N2)N)N)C(=O)OC |
Product Overview
Dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate (CAS 681459-10-9), with molecular formula C13H13N5O4 and molecular weight 303.10 g/mol. IUPAC: dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate
The XLogP value of 0.2762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate. The TPSA of 143.31 Ų indicates high polarity, suggesting Dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate has 2 hydrogen bond donor(s) and 9 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 Dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate is 681459-10-9.
What is the molecular formula of Dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate is C13H13N5O4.
What is the molecular weight of Dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate is 303.10 g/mol.
Where can I buy Dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.