![1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone structure](/static/products/789/78927-58-9.png)
1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone
TL;DR: 1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone (CAS 78927-58-9) is a chemical compound with molecular formula C16H19N3O4 and molecular weight 317.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(5-acetyl-2-propan-2-yloxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one
Also Known As: BAS 02788871, AJ-292/11753008, 1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone, 1-(3-((2-amino-4,6-dihydroxypyrimidin-5-yl)methyl)-4-isopropoxyphenyl)ethanone, 1-{3-[(2-amino-4,6-dihydroxy-5-pyrimidinyl)methyl]-4-isopropoxyphenyl}ethanone
| Molecular Formula | C16H19N3O4 |
|---|---|
| Molecular Weight | 317.14 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.13754 |
| Heavy Atoms | 23 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 78927-58-9 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)C(=O)C)CC2=C(N=C(NC2=O)N)O |
| InChIKey | RVMGQMNZHRXHPE-UHFFFAOYSA-N |
Product Overview
1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone (CAS 78927-58-9), with molecular formula C16H19N3O4 and molecular weight 317.14 g/mol. IUPAC: 5-[(5-acetyl-2-propan-2-yloxyphenyl)methyl]-2-amino-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of 1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone
Property Insights of 1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone. Following Lipinski's Rule of Five, 1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone has 3 hydrogen bond donor(s) and 5 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 1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone?
The CAS number of 1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone is 78927-58-9.
What is the molecular formula of 1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone?
The molecular formula of 1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone is C16H19N3O4.
What is the molecular weight of 1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone?
The molecular weight of 1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone is 317.14 g/mol.
Where can I buy 1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone?
You can request a quote for 1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(2-Amino-4,6-dihydroxy-pyrimidin-5-ylmethyl)-4-isopropoxy-phenyl]-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.