BAS 04996272
TL;DR: BAS 04996272 (CAS 842964-80-1) is a chemical compound with molecular formula C19H23N5O2 and molecular weight 353.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butan-2-yl-N-ethyl-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: BAS 04996272, 7-(butan-2-yl)-N-ethyl-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 1-(butan-2-yl)-N-ethyl-2-imino-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1-SEC-BUTYL-N-ETHYL-2-IMINO-8-METHYL-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE
| Molecular Formula | C19H23N5O2 |
|---|---|
| Molecular Weight | 353.19 g/mol |
| LogP | 2.15779 |
| Topological Polar Surface Area | 92.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.18518 |
| Heavy Atoms | 26 |
| Complexity | 1126.658 |
Chemical Identifiers
| CAS Number | 842964-80-1 |
|---|---|
| SMILES | CCC(C)N1C2=C(C=C(C1=N)C(=O)NCC)C(=O)N3C=C(C=CC3=N2)C |
Product Overview
BAS 04996272 (CAS 842964-80-1), with molecular formula C19H23N5O2 and molecular weight 353.19 g/mol. IUPAC: 7-butan-2-yl-N-ethyl-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of BAS 04996272
Property Insights of BAS 04996272
The XLogP value of 2.15779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996272. The TPSA of 92.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996272. Following Lipinski's Rule of Five, BAS 04996272 has 2 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 04996272?
The CAS number of BAS 04996272 is 842964-80-1.
What is the molecular formula of BAS 04996272?
The molecular formula of BAS 04996272 is C19H23N5O2.
What is the molecular weight of BAS 04996272?
The molecular weight of BAS 04996272 is 353.19 g/mol.
Where can I buy BAS 04996272?
You can request a quote for BAS 04996272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996272?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.