AB01312506-01
TL;DR: AB01312506-01 (CAS 850237-29-5) is a chemical compound with molecular formula C21H28N6O4 and molecular weight 428.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione
Also Known As: AB01312506-01, 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F1687-0003, 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione, 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C21H28N6O4 |
|---|---|
| Molecular Weight | 428.22 g/mol |
| LogP | 0.0051 |
| Topological Polar Surface Area | 108.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.2172 |
| Heavy Atoms | 31 |
| Complexity | 1144.3717 |
Chemical Identifiers
| CAS Number | 850237-29-5 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC3=C(N2CC(COC4=CC=CC=C4)O)C(=O)NC(=O)N3C |
Product Overview
AB01312506-01 (CAS 850237-29-5), with molecular formula C21H28N6O4 and molecular weight 428.22 g/mol. IUPAC: 8-(4-ethylpiperazin-1-yl)-7-(2-hydroxy-3-phenoxypropyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of AB01312506-01
Property Insights of AB01312506-01
The XLogP value of 0.0051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01312506-01. The TPSA of 108.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01312506-01. Following Lipinski's Rule of Five, AB01312506-01 has 2 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 AB01312506-01?
The CAS number of AB01312506-01 is 850237-29-5.
What is the molecular formula of AB01312506-01?
The molecular formula of AB01312506-01 is C21H28N6O4.
What is the molecular weight of AB01312506-01?
The molecular weight of AB01312506-01 is 428.22 g/mol.
Where can I buy AB01312506-01?
You can request a quote for AB01312506-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01312506-01?
Yes, KEHONG BIO provides custom synthesis services for AB01312506-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.