BAS 04995505
TL;DR: BAS 04995505 (CAS 488747-12-2) is a chemical compound with molecular formula C19H14N6O and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-11-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: BAS 04995505, 2-imino-10-methyl-5-oxo-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 2-imino-10-methyl-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 2-Imino-8-methyl-10-oxo-1-pyridin-3-ylmethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile
| Molecular Formula | C19H14N6O |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.1229 |
| Heavy Atoms | 26 |
| Complexity | 894.0 |
Chemical Identifiers
| CAS Number | 488747-12-2 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CN=CC=C4)C#N |
| InChIKey | NXBWTYVXENDGRJ-UHFFFAOYSA-N |
Product Overview
BAS 04995505 (CAS 488747-12-2), with molecular formula C19H14N6O and molecular weight 342.12 g/mol. IUPAC: 6-imino-11-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
Chemical Property Profile of BAS 04995505
Property Insights of BAS 04995505
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04995505. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04995505. Following Lipinski's Rule of Five, BAS 04995505 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 04995505?
The CAS number of BAS 04995505 is 488747-12-2.
What is the molecular formula of BAS 04995505?
The molecular formula of BAS 04995505 is C19H14N6O.
What is the molecular weight of BAS 04995505?
The molecular weight of BAS 04995505 is 342.12 g/mol.
Where can I buy BAS 04995505?
You can request a quote for BAS 04995505 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04995505?
Yes, KEHONG BIO provides custom synthesis services for BAS 04995505 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.