BAS 04995755
TL;DR: BAS 04995755 (CAS 488706-92-9) is a chemical compound with molecular formula C16H15N5O and molecular weight 293.13 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-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: BAS 04995755, 2-imino-10-methyl-5-oxo-1-propyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 2-imino-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 6-imino-11-methyl-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile, 6-imino-11-methyl-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
| Molecular Formula | C16H15N5O |
|---|---|
| Molecular Weight | 293.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.12766 |
| Heavy Atoms | 22 |
| Complexity | 785.0 |
Chemical Identifiers
| CAS Number | 488706-92-9 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C1=N)C#N)C(=O)N3C=CC=C(C3=N2)C |
| InChIKey | ZQAJJORYAJMKCH-UHFFFAOYSA-N |
Product Overview
BAS 04995755 (CAS 488706-92-9), with molecular formula C16H15N5O and molecular weight 293.13 g/mol. IUPAC: 6-imino-11-methyl-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
Chemical Property Profile of BAS 04995755
Property Insights of BAS 04995755
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04995755. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04995755. Following Lipinski's Rule of Five, BAS 04995755 has 1 hydrogen bond donor(s) and 4 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 04995755?
The CAS number of BAS 04995755 is 488706-92-9.
What is the molecular formula of BAS 04995755?
The molecular formula of BAS 04995755 is C16H15N5O.
What is the molecular weight of BAS 04995755?
The molecular weight of BAS 04995755 is 293.13 g/mol.
Where can I buy BAS 04995755?
You can request a quote for BAS 04995755 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04995755?
Yes, KEHONG BIO provides custom synthesis services for BAS 04995755 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.