BAS 04996259
TL;DR: BAS 04996259 (CAS 609794-54-9) is a chemical compound with molecular formula C17H17N5O and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butan-2-yl-6-imino-11-methyl-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 04996259, 1-(sec-butyl)-2-imino-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, AS-871/41400107, 1-SEC-BUTYL-2-IMINO-10-METHYL-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBONITRILE, 1-butan-2-yl-2-imino-10-methyl-5-oxo-3-dipyrido[3,4-c:1'',2''-f]pyrimidinecarbonitrile
| Molecular Formula | C17H17N5O |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 2.27977 |
| Topological Polar Surface Area | 86.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.1433 |
| Heavy Atoms | 23 |
| Complexity | 1084.4966 |
Chemical Identifiers
| CAS Number | 609794-54-9 |
|---|---|
| SMILES | CCC(C)N1C2=C(C=C(C1=N)C#N)C(=O)N3C=CC=C(C3=N2)C |
Product Overview
BAS 04996259 (CAS 609794-54-9), with molecular formula C17H17N5O and molecular weight 307.14 g/mol. IUPAC: 7-butan-2-yl-6-imino-11-methyl-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 04996259
Property Insights of BAS 04996259
The XLogP value of 2.27977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996259. The TPSA of 86.94 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996259. Following Lipinski's Rule of Five, BAS 04996259 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 04996259?
The CAS number of BAS 04996259 is 609794-54-9.
What is the molecular formula of BAS 04996259?
The molecular formula of BAS 04996259 is C17H17N5O.
What is the molecular weight of BAS 04996259?
The molecular weight of BAS 04996259 is 307.14 g/mol.
Where can I buy BAS 04996259?
You can request a quote for BAS 04996259 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996259?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996259 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.