BAS 04914632
TL;DR: BAS 04914632 (CAS 442557-93-9) 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.
7-(2-ethoxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione
Also Known As: BAS 04914632, VU0213472-4, AB00147659-10, 7-(2-ethoxyethyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F1191-0024
| Molecular Formula | C21H28N6O4 |
|---|---|
| Molecular Weight | 428.22 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.2172 |
| Heavy Atoms | 31 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 442557-93-9 |
|---|---|
| SMILES | CCOCCN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)NC2=O)C |
| InChIKey | GKMJGGXYFVURNX-UHFFFAOYSA-N |
Product Overview
BAS 04914632 (CAS 442557-93-9), with molecular formula C21H28N6O4 and molecular weight 428.22 g/mol. IUPAC: 7-(2-ethoxyethyl)-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 04914632
Property Insights of BAS 04914632
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04914632. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04914632. Following Lipinski's Rule of Five, BAS 04914632 has 1 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 BAS 04914632?
The CAS number of BAS 04914632 is 442557-93-9.
What is the molecular formula of BAS 04914632?
The molecular formula of BAS 04914632 is C21H28N6O4.
What is the molecular weight of BAS 04914632?
The molecular weight of BAS 04914632 is 428.22 g/mol.
Where can I buy BAS 04914632?
You can request a quote for BAS 04914632 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04914632?
Yes, KEHONG BIO provides custom synthesis services for BAS 04914632 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.