BAS 04996006
TL;DR: BAS 04996006 (CAS 489462-77-3) is a chemical compound with molecular formula C15H13N5O2 and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-7-(2-methoxyethyl)-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 04996006, 2-Imino-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 2-IMINO-1-(2-METHOXYETHYL)-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBONITRILE, 2-Imino-1-(2-methoxyethyl)-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carbonitrile, 2-imino-1-(2-methoxyethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
| Molecular Formula | C15H13N5O2 |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 0.64675 |
| Topological Polar Surface Area | 96.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.10693 |
| Heavy Atoms | 22 |
| Complexity | 1026.183 |
Chemical Identifiers
| CAS Number | 489462-77-3 |
|---|---|
| SMILES | COCCN1C2=C(C=C(C1=N)C#N)C(=O)N3C=CC=CC3=N2 |
Product Overview
BAS 04996006 (CAS 489462-77-3), with molecular formula C15H13N5O2 and molecular weight 295.11 g/mol. IUPAC: 6-imino-7-(2-methoxyethyl)-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 04996006
Property Insights of BAS 04996006
The XLogP value of 0.64675 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996006. The TPSA of 96.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996006. Following Lipinski's Rule of Five, BAS 04996006 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 04996006?
The CAS number of BAS 04996006 is 489462-77-3.
What is the molecular formula of BAS 04996006?
The molecular formula of BAS 04996006 is C15H13N5O2.
What is the molecular weight of BAS 04996006?
The molecular weight of BAS 04996006 is 295.11 g/mol.
Where can I buy BAS 04996006?
You can request a quote for BAS 04996006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996006?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.