BAS 05509247
TL;DR: BAS 05509247 (CAS 618080-79-8) is a chemical compound with molecular formula C17H18N4O3 and molecular weight 326.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-imino-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: BAS 05509247, ethyl 6-imino-2-oxo-7-(propan-2-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, ethyl 2-imino-1-isopropyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate, ethyl 2-imino-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C17H18N4O3 |
|---|---|
| Molecular Weight | 326.14 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.13788 |
| Heavy Atoms | 24 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 618080-79-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)C(C)C |
| InChIKey | WGCDXNGWQYSZRH-UHFFFAOYSA-N |
Product Overview
BAS 05509247 (CAS 618080-79-8), with molecular formula C17H18N4O3 and molecular weight 326.14 g/mol. IUPAC: ethyl 6-imino-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of BAS 05509247
Property Insights of BAS 05509247
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05509247. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05509247. Following Lipinski's Rule of Five, BAS 05509247 has 1 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 BAS 05509247?
The CAS number of BAS 05509247 is 618080-79-8.
What is the molecular formula of BAS 05509247?
The molecular formula of BAS 05509247 is C17H18N4O3.
What is the molecular weight of BAS 05509247?
The molecular weight of BAS 05509247 is 326.14 g/mol.
Where can I buy BAS 05509247?
You can request a quote for BAS 05509247 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05509247?
Yes, KEHONG BIO provides custom synthesis services for BAS 05509247 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.