ASN 13314277
TL;DR: ASN 13314277 (CAS 879585-71-4) is a chemical compound with molecular formula C20H23FN6O3 and molecular weight 414.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-dimethylpurine-2,6-dione
Also Known As: ASN 13314277, 7-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-dimethylpurine-2,6-dione, 7-{3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-{3-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]-3-OXOPROPYL}-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE, 7-{3-[4-(4-fluorophenyl)piperazinyl]-3-oxopropyl}-1,3-dimethyl-1,3,7-trihydrop urine-2,6-dione
| Molecular Formula | C20H23FN6O3 |
|---|---|
| Molecular Weight | 414.18 g/mol |
| LogP | 0.3117 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.18158 |
| Heavy Atoms | 30 |
| Complexity | 1202.2354 |
Chemical Identifiers
| CAS Number | 879585-71-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F |
Product Overview
ASN 13314277 (CAS 879585-71-4), with molecular formula C20H23FN6O3 and molecular weight 414.18 g/mol. IUPAC: 7-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of ASN 13314277
Property Insights of ASN 13314277
The XLogP value of 0.3117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ASN 13314277. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ASN 13314277. Following Lipinski's Rule of Five, ASN 13314277 has 0 hydrogen bond donor(s) and 5 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 ASN 13314277?
The CAS number of ASN 13314277 is 879585-71-4.
What is the molecular formula of ASN 13314277?
The molecular formula of ASN 13314277 is C20H23FN6O3.
What is the molecular weight of ASN 13314277?
The molecular weight of ASN 13314277 is 414.18 g/mol.
Where can I buy ASN 13314277?
You can request a quote for ASN 13314277 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 13314277?
Yes, KEHONG BIO provides custom synthesis services for ASN 13314277 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.