BAS 04914641
TL;DR: BAS 04914641 (CAS 498535-81-2) 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-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: BAS 04914641, 7-isopentyl-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F1191-0033, 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione, 6-hydroxy-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(3-methylbutyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C22H30N6O3 |
|---|---|
| Molecular Weight | 426.24 g/mol |
| LogP | 1.8046 |
| 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 | 1166.9049 |
Chemical Identifiers
| CAS Number | 498535-81-2 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)NC2=O)C |
Product Overview
BAS 04914641 (CAS 498535-81-2), with molecular formula C22H30N6O3 and molecular weight 426.24 g/mol. IUPAC: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of BAS 04914641
Property Insights of BAS 04914641
The XLogP value of 1.8046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04914641. The TPSA of 88.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04914641. Following Lipinski's Rule of Five, BAS 04914641 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 04914641?
The CAS number of BAS 04914641 is 498535-81-2.
What is the molecular formula of BAS 04914641?
The molecular formula of BAS 04914641 is C22H30N6O3.
What is the molecular weight of BAS 04914641?
The molecular weight of BAS 04914641 is 426.24 g/mol.
Where can I buy BAS 04914641?
You can request a quote for BAS 04914641 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04914641?
Yes, KEHONG BIO provides custom synthesis services for BAS 04914641 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.