BAS 12521616
TL;DR: BAS 12521616 (CAS 876900-65-1) is a chemical compound with molecular formula C20H23N5O4 and molecular weight 397.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-methyl-9-(2-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
Also Known As: BAS 12521616, VU0489941-1, F2013-0707, ethyl 2-(1-methyl-2,4-dioxo-9-(o-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate, ethyl 2-[1-methyl-9-(2-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate
| Molecular Formula | C20H23N5O4 |
|---|---|
| Molecular Weight | 397.18 g/mol |
| LogP | 1.31002 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.17502 |
| Heavy Atoms | 29 |
| Complexity | 1220.0602 |
Chemical Identifiers
| CAS Number | 876900-65-1 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2=C(N=C3N2CCCN3C4=CC=CC=C4C)N(C1=O)C |
Product Overview
BAS 12521616 (CAS 876900-65-1), with molecular formula C20H23N5O4 and molecular weight 397.18 g/mol. IUPAC: ethyl 2-[1-methyl-9-(2-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate.
Chemical Property Profile of BAS 12521616
Property Insights of BAS 12521616
The XLogP value of 1.31002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12521616. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12521616. Following Lipinski's Rule of Five, BAS 12521616 has 0 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 12521616?
The CAS number of BAS 12521616 is 876900-65-1.
What is the molecular formula of BAS 12521616?
The molecular formula of BAS 12521616 is C20H23N5O4.
What is the molecular weight of BAS 12521616?
The molecular weight of BAS 12521616 is 397.18 g/mol.
Where can I buy BAS 12521616?
You can request a quote for BAS 12521616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12521616?
Yes, KEHONG BIO provides custom synthesis services for BAS 12521616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.