BAS 00964859
TL;DR: BAS 00964859 (CAS 306732-94-5) is a chemical compound with molecular formula C18H19N7O4 and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-but-2-enyl]-3-methyl-8-[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione
Also Known As: BAS 00964859, 7-[(2E)-but-2-en-1-yl]-3-methyl-8-[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(But-2-en-1-yl)-3-methyl-8-(2-(1-(3-nitrophenyl)ethylidene)hydrazineyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H19N7O4 |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 1.7437 |
| Topological Polar Surface Area | 140.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.14984 |
| Heavy Atoms | 29 |
| Complexity | 1263.4308 |
Chemical Identifiers
| CAS Number | 306732-94-5 |
|---|---|
| SMILES | C/C=C/CN1C2=C(N=C1N/N=C(\C)/C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C |
Product Overview
BAS 00964859 (CAS 306732-94-5), with molecular formula C18H19N7O4 and molecular weight 397.15 g/mol. IUPAC: 7-[(E)-but-2-enyl]-3-methyl-8-[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of BAS 00964859
Property Insights of BAS 00964859
The XLogP value of 1.7437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00964859. The TPSA of 140.21 Ų indicates high polarity, suggesting BAS 00964859 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00964859 has 2 hydrogen bond donor(s) and 7 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 00964859?
The CAS number of BAS 00964859 is 306732-94-5.
What is the molecular formula of BAS 00964859?
The molecular formula of BAS 00964859 is C18H19N7O4.
What is the molecular weight of BAS 00964859?
The molecular weight of BAS 00964859 is 397.15 g/mol.
Where can I buy BAS 00964859?
You can request a quote for BAS 00964859 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964859?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964859 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.