A3286/0139841
TL;DR: A3286/0139841 (CAS 586993-75-1) is a chemical compound with molecular formula C19H19N5O5 and molecular weight 397.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate
Also Known As: A3286/0139841, dimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate, dimethyl 5-{2-[(4,6-dimethyl-2-pyrimidinyl)amino]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}isophthalate, dimethyl 5-(2-((4,6-dimethylpyrimidin-2-yl)amino)-5-oxo-4,5-dihydro-1H-imidazol-1-yl)isophthalate, dimethyl 5-(2-{[(2E)-4,6-dimethylpyrimidin-2(1H)-ylidene]amino}-5-oxo-4,5-dihydro-1H-imidazol-1-yl)benzene-1,3-dicarboxylate
| Molecular Formula | C19H19N5O5 |
|---|---|
| Molecular Weight | 397.14 g/mol |
| LogP | 1.48134 |
| Topological Polar Surface Area | 123.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.1386 |
| Heavy Atoms | 29 |
| Complexity | 979.1451 |
Chemical Identifiers
| CAS Number | 586993-75-1 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)NC2=NCC(=O)N2C3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C |
Product Overview
A3286/0139841 (CAS 586993-75-1), with molecular formula C19H19N5O5 and molecular weight 397.14 g/mol. IUPAC: dimethyl 5-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-oxo-4H-imidazol-1-yl]benzene-1,3-dicarboxylate.
Chemical Property Profile of A3286/0139841
Property Insights of A3286/0139841
The XLogP value of 1.48134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3286/0139841. The TPSA of 123.08 Ų falls within the moderate polarity range, balancing permeability and solubility for A3286/0139841. Following Lipinski's Rule of Five, A3286/0139841 has 1 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 A3286/0139841?
The CAS number of A3286/0139841 is 586993-75-1.
What is the molecular formula of A3286/0139841?
The molecular formula of A3286/0139841 is C19H19N5O5.
What is the molecular weight of A3286/0139841?
The molecular weight of A3286/0139841 is 397.14 g/mol.
Where can I buy A3286/0139841?
You can request a quote for A3286/0139841 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3286/0139841?
Yes, KEHONG BIO provides custom synthesis services for A3286/0139841 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.