AB01289703-01
TL;DR: AB01289703-01 (CAS 838899-81-3) is a chemical compound with molecular formula C18H21ClN6O2 and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7H-purine-2,6-dione
Also Known As: AB01289703-01, 8-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F1717-0044, 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7H-purine-2,6-dione, 8-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methyl]-3-methyl-7H-purine-2,6-dione
| Molecular Formula | C18H21ClN6O2 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 1.23392 |
| Topological Polar Surface Area | 90.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.14145 |
| Heavy Atoms | 27 |
| Complexity | 1107.2178 |
Chemical Identifiers
| CAS Number | 838899-81-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC3=NC4=C(N3)C(=O)NC(=O)N4C |
Product Overview
AB01289703-01 (CAS 838899-81-3), with molecular formula C18H21ClN6O2 and molecular weight 388.14 g/mol. IUPAC: 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-3-methyl-7H-purine-2,6-dione.
Chemical Property Profile of AB01289703-01
Property Insights of AB01289703-01
The XLogP value of 1.23392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01289703-01. The TPSA of 90.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01289703-01. Following Lipinski's Rule of Five, AB01289703-01 has 2 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 AB01289703-01?
The CAS number of AB01289703-01 is 838899-81-3.
What is the molecular formula of AB01289703-01?
The molecular formula of AB01289703-01 is C18H21ClN6O2.
What is the molecular weight of AB01289703-01?
The molecular weight of AB01289703-01 is 388.14 g/mol.
Where can I buy AB01289703-01?
You can request a quote for AB01289703-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01289703-01?
Yes, KEHONG BIO provides custom synthesis services for AB01289703-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.