BAS 00363947
TL;DR: BAS 00363947 (CAS 331259-75-7) is a chemical compound with molecular formula C19H21BrN6O2 and molecular weight 444.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione
Also Known As: BAS 00363947, 2-bromo-3-phenylacrylaldehyde (7-isobutyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone, (1E,2Z)-2-bromo-3-phenyl-2-propenal (7-isobutyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone, 8-[((3Z,1E)-3-bromo-4-phenyl-1-azabuta-1,3-dienyl)amino]-3-methyl-7-(2-methylp ropyl)-1,3,7-trihydropurine-2,6-dione, 8-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione
| Molecular Formula | C19H21BrN6O2 |
|---|---|
| Molecular Weight | 444.09 g/mol |
| LogP | 2.913 |
| Topological Polar Surface Area | 97.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.09094 |
| Heavy Atoms | 28 |
| Complexity | 1154.866 |
Chemical Identifiers
| CAS Number | 331259-75-7 |
|---|---|
| SMILES | CC(C)CN1C2=C(N=C1N/N=C/C(=C/C3=CC=CC=C3)/Br)N(C(=O)NC2=O)C |
Product Overview
BAS 00363947 (CAS 331259-75-7), with molecular formula C19H21BrN6O2 and molecular weight 444.09 g/mol. IUPAC: 8-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione.
Chemical Property Profile of BAS 00363947
Property Insights of BAS 00363947
The XLogP value of 2.913 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00363947. The TPSA of 97.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00363947. Following Lipinski's Rule of Five, BAS 00363947 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 00363947?
The CAS number of BAS 00363947 is 331259-75-7.
What is the molecular formula of BAS 00363947?
The molecular formula of BAS 00363947 is C19H21BrN6O2.
What is the molecular weight of BAS 00363947?
The molecular weight of BAS 00363947 is 444.09 g/mol.
Where can I buy BAS 00363947?
You can request a quote for BAS 00363947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00363947?
Yes, KEHONG BIO provides custom synthesis services for BAS 00363947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.