BAS 04996287
TL;DR: BAS 04996287 (CAS 842964-93-6) is a chemical compound with molecular formula C23H24N6O2 and molecular weight 416.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butan-2-yl-6-imino-13-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: BAS 04996287, 1-(butan-2-yl)-2-imino-8-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1-SEC-BUTYL-2-IMINO-8-METHYL-5-OXO-N-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE
| Molecular Formula | C23H24N6O2 |
|---|---|
| Molecular Weight | 416.20 g/mol |
| LogP | 2.73309 |
| Topological Polar Surface Area | 105.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.19608 |
| Heavy Atoms | 31 |
| Complexity | 1405.2786 |
Chemical Identifiers
| CAS Number | 842964-93-6 |
|---|---|
| SMILES | CCC(C)N1C2=C(C=C(C1=N)C(=O)NCC3=CN=CC=C3)C(=O)N4C=C(C=CC4=N2)C |
Product Overview
BAS 04996287 (CAS 842964-93-6), with molecular formula C23H24N6O2 and molecular weight 416.20 g/mol. IUPAC: 7-butan-2-yl-6-imino-13-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of BAS 04996287
Property Insights of BAS 04996287
The XLogP value of 2.73309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996287. The TPSA of 105.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996287. Following Lipinski's Rule of Five, BAS 04996287 has 2 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 04996287?
The CAS number of BAS 04996287 is 842964-93-6.
What is the molecular formula of BAS 04996287?
The molecular formula of BAS 04996287 is C23H24N6O2.
What is the molecular weight of BAS 04996287?
The molecular weight of BAS 04996287 is 416.20 g/mol.
Where can I buy BAS 04996287?
You can request a quote for BAS 04996287 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996287?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996287 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.