AB01282306-01
TL;DR: AB01282306-01 (CAS 851940-45-9) is a chemical compound with molecular formula C21H26N6O4 and molecular weight 426.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate
Also Known As: AB01282306-01, Methyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate, methyl {1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate, methyl 2-(1,3-dimethyl-2,6-dioxo-8-((4-phenylpiperazin-1-yl)methyl)-2,3-dihydro-1H-purin-7(6H)-yl)acetate, METHYL 2-{1,3-DIMETHYL-2,6-DIOXO-8-[(4-PHENYLPIPERAZIN-1-YL)METHYL]-2,3,6,7-TETRAHYDRO-1H-PURIN-7-YL}ACETATE
| Molecular Formula | C21H26N6O4 |
|---|---|
| Molecular Weight | 426.20 g/mol |
| LogP | -0.0711 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.20154 |
| Heavy Atoms | 31 |
| Complexity | 1218.6263 |
Chemical Identifiers
| CAS Number | 851940-45-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4)CC(=O)OC |
Product Overview
AB01282306-01 (CAS 851940-45-9), with molecular formula C21H26N6O4 and molecular weight 426.20 g/mol. IUPAC: methyl 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetate.
Chemical Property Profile of AB01282306-01
Property Insights of AB01282306-01
The XLogP value of -0.0711 indicates that AB01282306-01 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01282306-01. Following Lipinski's Rule of Five, AB01282306-01 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 AB01282306-01?
The CAS number of AB01282306-01 is 851940-45-9.
What is the molecular formula of AB01282306-01?
The molecular formula of AB01282306-01 is C21H26N6O4.
What is the molecular weight of AB01282306-01?
The molecular weight of AB01282306-01 is 426.20 g/mol.
Where can I buy AB01282306-01?
You can request a quote for AB01282306-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01282306-01?
Yes, KEHONG BIO provides custom synthesis services for AB01282306-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.