F3001-0002
TL;DR: F3001-0002 (CAS 877818-20-7) is a chemical compound with molecular formula C22H26Cl2N6O4 and molecular weight 508.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
Also Known As: F3001-0002, ethyl 4-((7-(3,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperazine-1-carboxylate, ethyl 4-({7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-1,3,7-trihydro purin-8-yl}methyl)piperazinecarboxylate, ethyl 4-({7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate, ethyl 4-[[7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
| Molecular Formula | C22H26Cl2N6O4 |
|---|---|
| Molecular Weight | 508.14 g/mol |
| LogP | 2.0629 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.13925 |
| Heavy Atoms | 34 |
| Complexity | 1354.1494 |
Chemical Identifiers
| CAS Number | 877818-20-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=NC3=C(N2CC4=CC(=C(C=C4)Cl)Cl)C(=O)N(C(=O)N3C)C |
Product Overview
F3001-0002 (CAS 877818-20-7), with molecular formula C22H26Cl2N6O4 and molecular weight 508.14 g/mol. IUPAC: ethyl 4-[[7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate.
Chemical Property Profile of F3001-0002
Property Insights of F3001-0002
The XLogP value of 2.0629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F3001-0002. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for F3001-0002. Following Lipinski's Rule of Five, F3001-0002 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F3001-0002?
The CAS number of F3001-0002 is 877818-20-7.
What is the molecular formula of F3001-0002?
The molecular formula of F3001-0002 is C22H26Cl2N6O4.
What is the molecular weight of F3001-0002?
The molecular weight of F3001-0002 is 508.14 g/mol.
Where can I buy F3001-0002?
You can request a quote for F3001-0002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3001-0002?
Yes, KEHONG BIO provides custom synthesis services for F3001-0002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.