AB00414920-10
TL;DR: AB00414920-10 (CAS 862979-35-9) is a chemical compound with molecular formula C19H30N6O4 and molecular weight 406.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)methyl]piperazine-1-carboxylate
Also Known As: AB00414920-10, ethyl 4-[(3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate, F0669-0133, ethyl 4-[(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)methyl]piperazine-1-carboxylate, ethyl 4-((3-methyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperazine-1-carboxylate
| Molecular Formula | C19H30N6O4 |
|---|---|
| Molecular Weight | 406.23 g/mol |
| LogP | 0.8876 |
| Topological Polar Surface Area | 105.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 406.23285 |
| Heavy Atoms | 29 |
| Complexity | 967.46027 |
Chemical Identifiers
| CAS Number | 862979-35-9 |
|---|---|
| SMILES | CCCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C(=O)OCC |
Product Overview
AB00414920-10 (CAS 862979-35-9), with molecular formula C19H30N6O4 and molecular weight 406.23 g/mol. IUPAC: ethyl 4-[(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)methyl]piperazine-1-carboxylate.
Chemical Property Profile of AB00414920-10
Property Insights of AB00414920-10
The XLogP value of 0.8876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00414920-10. The TPSA of 105.46 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00414920-10. Following Lipinski's Rule of Five, AB00414920-10 has 1 hydrogen bond donor(s) and 6 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 AB00414920-10?
The CAS number of AB00414920-10 is 862979-35-9.
What is the molecular formula of AB00414920-10?
The molecular formula of AB00414920-10 is C19H30N6O4.
What is the molecular weight of AB00414920-10?
The molecular weight of AB00414920-10 is 406.23 g/mol.
Where can I buy AB00414920-10?
You can request a quote for AB00414920-10 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00414920-10?
Yes, KEHONG BIO provides custom synthesis services for AB00414920-10 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.