BAS 00964947
TL;DR: BAS 00964947 (CAS 333769-26-9) is a chemical compound with molecular formula C19H22N6O3 and molecular weight 382.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-methoxyethyl)-3-methyl-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione
Also Known As: BAS 00964947, 7-(2-methoxyethyl)-3-methyl-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione, 7-(2-methoxyethyl)-3-methyl-8-{(2E)-2-[(2E)-1-methyl-3-phenyl-2-propenylidene]hydrazino}-3,7-dihydro-1H-purine-2,6-dione, 7-(2-methoxyethyl)-3-methyl-8-[(2E)-2-[(3E)-4-phenylbut-3-en-2-ylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(2-methoxyethyl)-3-methyl-8-((E)-2-((E)-4-phenylbut-3-en-2-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C19H22N6O3 |
|---|---|
| Molecular Weight | 382.18 g/mol |
| LogP | 1.5709 |
| Topological Polar Surface Area | 106.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.17532 |
| Heavy Atoms | 28 |
| Complexity | 1138.1708 |
Chemical Identifiers
| CAS Number | 333769-26-9 |
|---|---|
| SMILES | C/C(=N\NC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C)/C=C/C3=CC=CC=C3 |
Product Overview
BAS 00964947 (CAS 333769-26-9), with molecular formula C19H22N6O3 and molecular weight 382.18 g/mol. IUPAC: 7-(2-methoxyethyl)-3-methyl-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of BAS 00964947
Property Insights of BAS 00964947
The XLogP value of 1.5709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00964947. The TPSA of 106.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00964947. Following Lipinski's Rule of Five, BAS 00964947 has 2 hydrogen bond donor(s) and 6 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 00964947?
The CAS number of BAS 00964947 is 333769-26-9.
What is the molecular formula of BAS 00964947?
The molecular formula of BAS 00964947 is C19H22N6O3.
What is the molecular weight of BAS 00964947?
The molecular weight of BAS 00964947 is 382.18 g/mol.
Where can I buy BAS 00964947?
You can request a quote for BAS 00964947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964947?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.