AB01304677-01
TL;DR: AB01304677-01 (CAS 838905-67-2) is a chemical compound with molecular formula C22H27FN6O4 and molecular weight 458.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate
Also Known As: AB01304677-01, ethyl (8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate, ethyl 2-[8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate, ethyl 2-(8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetate, ethyl 2-(8-((4-(2-fluorophenyl)piperazin-1-yl)methyl)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate
| Molecular Formula | C22H27FN6O4 |
|---|---|
| Molecular Weight | 458.21 g/mol |
| LogP | 0.4581 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.2078 |
| Heavy Atoms | 33 |
| Complexity | 1302.684 |
Chemical Identifiers
| CAS Number | 838905-67-2 |
|---|---|
| SMILES | CCOC(=O)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=CC=C4F |
Product Overview
AB01304677-01 (CAS 838905-67-2), with molecular formula C22H27FN6O4 and molecular weight 458.21 g/mol. IUPAC: ethyl 2-[8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetate.
Chemical Property Profile of AB01304677-01
Property Insights of AB01304677-01
The XLogP value of 0.4581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01304677-01. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01304677-01. Following Lipinski's Rule of Five, AB01304677-01 has 0 hydrogen bond donor(s) and 7 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 AB01304677-01?
The CAS number of AB01304677-01 is 838905-67-2.
What is the molecular formula of AB01304677-01?
The molecular formula of AB01304677-01 is C22H27FN6O4.
What is the molecular weight of AB01304677-01?
The molecular weight of AB01304677-01 is 458.21 g/mol.
Where can I buy AB01304677-01?
You can request a quote for AB01304677-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01304677-01?
Yes, KEHONG BIO provides custom synthesis services for AB01304677-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.