BAS 00964856
TL;DR: BAS 00964856 (CAS 303974-01-8) 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-[(E)-but-2-enyl]-8-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00964856, 7-((E)-but-2-en-1-yl)-8-((E)-2-(1-(4-methoxyphenyl)ethylidene)hydrazinyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(2E)-but-2-en-1-yl]-6-hydroxy-8-{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl}-3-methyl-3,7-dihydro-2H-purin-2-one, 7-[(2E)-but-2-en-1-yl]-8-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[(E)-but-2-enyl]-8-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-3-methylpurine-2,6-dione
| Molecular Formula | C19H22N6O3 |
|---|---|
| Molecular Weight | 382.18 g/mol |
| LogP | 1.8441 |
| Topological Polar Surface Area | 106.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.17532 |
| Heavy Atoms | 28 |
| Complexity | 1165.3276 |
Chemical Identifiers
| CAS Number | 303974-01-8 |
|---|---|
| SMILES | C/C=C/CN1C2=C(N=C1N/N=C(\C)/C3=CC=C(C=C3)OC)N(C(=O)NC2=O)C |
Product Overview
BAS 00964856 (CAS 303974-01-8), with molecular formula C19H22N6O3 and molecular weight 382.18 g/mol. IUPAC: 7-[(E)-but-2-enyl]-8-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00964856
Property Insights of BAS 00964856
The XLogP value of 1.8441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00964856. The TPSA of 106.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00964856. Following Lipinski's Rule of Five, BAS 00964856 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 00964856?
The CAS number of BAS 00964856 is 303974-01-8.
What is the molecular formula of BAS 00964856?
The molecular formula of BAS 00964856 is C19H22N6O3.
What is the molecular weight of BAS 00964856?
The molecular weight of BAS 00964856 is 382.18 g/mol.
Where can I buy BAS 00964856?
You can request a quote for BAS 00964856 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964856?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.