BAS 13117558
TL;DR: BAS 13117558 (CAS 887030-47-9) is a chemical compound with molecular formula C22H30N6O3 and molecular weight 426.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
Also Known As: BAS 13117558, UPCMLD0ENAT5821822:001, VU0491845-1, F2636-0592, 8-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
| Molecular Formula | C22H30N6O3 |
|---|---|
| Molecular Weight | 426.24 g/mol |
| LogP | 1.00874 |
| Topological Polar Surface Area | 88.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.23795 |
| Heavy Atoms | 31 |
| Complexity | 1200.4022 |
Chemical Identifiers
| CAS Number | 887030-47-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CN2CCN(CC2)C3=NC4=C(N3CCOC)C(=O)NC(=O)N4C |
Product Overview
BAS 13117558 (CAS 887030-47-9), with molecular formula C22H30N6O3 and molecular weight 426.24 g/mol. IUPAC: 8-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 13117558
Property Insights of BAS 13117558
The XLogP value of 1.00874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13117558. The TPSA of 88.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13117558. Following Lipinski's Rule of Five, BAS 13117558 has 1 hydrogen bond donor(s) and 6 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 BAS 13117558?
The CAS number of BAS 13117558 is 887030-47-9.
What is the molecular formula of BAS 13117558?
The molecular formula of BAS 13117558 is C22H30N6O3.
What is the molecular weight of BAS 13117558?
The molecular weight of BAS 13117558 is 426.24 g/mol.
Where can I buy BAS 13117558?
You can request a quote for BAS 13117558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13117558?
Yes, KEHONG BIO provides custom synthesis services for BAS 13117558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.