n-Hexylacrylate
TL;DR: n-Hexylacrylate (CAS 2513-76-0) is a chemical compound with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
Also Known As: n-Hexylacrylate, 6-Methylpyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione, Pyrido[3,4-diol, 6-methyl-, Pyrido[3,2-d]pyrimidine-2,4(1H,3H)-dione, 6-methyl-, 6-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
| Molecular Formula | C8H7N3O2 |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.05383 |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 2513-76-0 |
|---|---|
| SMILES | CC1=NC2=C(C=C1)NC(=O)NC2=O |
| InChIKey | IBBXYTONEVNZLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Hexylacrylate (CAS 2513-76-0), with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol. IUPAC: 6-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione.
Chemical Property Profile of n-Hexylacrylate
Property Insights of n-Hexylacrylate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Hexylacrylate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Hexylacrylate. Following Lipinski's Rule of Five, n-Hexylacrylate has 2 hydrogen bond donor(s) and 3 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 n-Hexylacrylate?
The CAS number of n-Hexylacrylate is 2513-76-0.
What is the molecular formula of n-Hexylacrylate?
The molecular formula of n-Hexylacrylate is C8H7N3O2.
What is the molecular weight of n-Hexylacrylate?
The molecular weight of n-Hexylacrylate is 177.05 g/mol.
Where can I buy n-Hexylacrylate?
You can request a quote for n-Hexylacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Hexylacrylate?
Yes, KEHONG BIO provides custom synthesis services for n-Hexylacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.