BAS 04995567
TL;DR: BAS 04995567 (CAS 636989-26-9) is a chemical compound with molecular formula C18H18N6O2 and molecular weight 350.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-7-(2-morpholin-4-ylethyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: BAS 04995567, 2-Imino-1-(2-morpholin-4-yl-ethyl)-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile, 2-Imino-1-(2-morpholinoethyl)-5-oxo-1,5-dihydro-2h-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 6-imino-7-[2-(morpholin-4-yl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0,3,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile, 2-imino-1-(2-morpholinoethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide
| Molecular Formula | C18H18N6O2 |
|---|---|
| Molecular Weight | 350.15 g/mol |
| LogP | 0.33255 |
| Topological Polar Surface Area | 99.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.1491 |
| Heavy Atoms | 26 |
| Complexity | 1134.5559 |
Chemical Identifiers
| CAS Number | 636989-26-9 |
|---|---|
| SMILES | C1COCCN1CCN2C3=C(C=C(C2=N)C#N)C(=O)N4C=CC=CC4=N3 |
Product Overview
BAS 04995567 (CAS 636989-26-9), with molecular formula C18H18N6O2 and molecular weight 350.15 g/mol. IUPAC: 6-imino-7-(2-morpholin-4-ylethyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
Chemical Property Profile of BAS 04995567
Property Insights of BAS 04995567
The XLogP value of 0.33255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04995567. The TPSA of 99.41 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04995567. Following Lipinski's Rule of Five, BAS 04995567 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 04995567?
The CAS number of BAS 04995567 is 636989-26-9.
What is the molecular formula of BAS 04995567?
The molecular formula of BAS 04995567 is C18H18N6O2.
What is the molecular weight of BAS 04995567?
The molecular weight of BAS 04995567 is 350.15 g/mol.
Where can I buy BAS 04995567?
You can request a quote for BAS 04995567 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04995567?
Yes, KEHONG BIO provides custom synthesis services for BAS 04995567 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.