A 802715
TL;DR: A 802715 (CAS 107767-58-8) is a chemical compound with molecular formula C16H26N4O3 and molecular weight 322.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-hydroxy-5-methylhexyl)-3-methyl-7-propylpurine-2,6-dione
Also Known As: A-802715, A 802715, HY-U00142, 1-(5-Hydroxy-5-methyl)hexyl-3-methyl-7-propylxanthine, 1-(5-hydroxy-5-methylhexyl)-3-methyl-7-propylpurine-2,6-dione
| Molecular Formula | C16H26N4O3 |
|---|---|
| Molecular Weight | 322.20 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.2005 |
| Heavy Atoms | 23 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 107767-58-8 |
|---|---|
| SMILES | CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)O |
| InChIKey | SBKAARSDXHSHSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
A 802715 (CAS 107767-58-8), with molecular formula C16H26N4O3 and molecular weight 322.20 g/mol. IUPAC: 1-(5-hydroxy-5-methylhexyl)-3-methyl-7-propylpurine-2,6-dione.
Chemical Property Profile of A 802715
Property Insights of A 802715
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A 802715. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for A 802715. Following Lipinski's Rule of Five, A 802715 has 1 hydrogen bond donor(s) and 4 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 A 802715?
The CAS number of A 802715 is 107767-58-8.
What is the molecular formula of A 802715?
The molecular formula of A 802715 is C16H26N4O3.
What is the molecular weight of A 802715?
The molecular weight of A 802715 is 322.20 g/mol.
Where can I buy A 802715?
You can request a quote for A 802715 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A 802715?
Yes, KEHONG BIO provides custom synthesis services for A 802715 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.