BAS 00964098
TL;DR: BAS 00964098 (CAS 303970-21-0) is a chemical compound with molecular formula C22H22N6O2 and molecular weight 402.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[(4-methylphenyl)methyl]-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione
Also Known As: BAS 00964098, 3-methyl-7-(4-methylbenzyl)-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione, (E)-3-methyl-7-(4-methylbenzyl)-8-(2-(1-phenylethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-[(4-methylphenyl)methyl]-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione, 8-[((1E)-2-phenyl-1-azaprop-1-enyl)amino]-3-methyl-7-[(4-methylphenyl)methyl]- 1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C22H22N6O2 |
|---|---|
| Molecular Weight | 402.18 g/mol |
| LogP | 2.61612 |
| Topological Polar Surface Area | 97.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.18042 |
| Heavy Atoms | 30 |
| Complexity | 1344.8995 |
Chemical Identifiers
| CAS Number | 303970-21-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2N/N=C(\C)/C4=CC=CC=C4)N(C(=O)NC3=O)C |
Product Overview
BAS 00964098 (CAS 303970-21-0), with molecular formula C22H22N6O2 and molecular weight 402.18 g/mol. IUPAC: 3-methyl-7-[(4-methylphenyl)methyl]-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione.
Chemical Property Profile of BAS 00964098
Property Insights of BAS 00964098
The XLogP value of 2.61612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00964098. The TPSA of 97.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00964098. Following Lipinski's Rule of Five, BAS 00964098 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 00964098?
The CAS number of BAS 00964098 is 303970-21-0.
What is the molecular formula of BAS 00964098?
The molecular formula of BAS 00964098 is C22H22N6O2.
What is the molecular weight of BAS 00964098?
The molecular weight of BAS 00964098 is 402.18 g/mol.
Where can I buy BAS 00964098?
You can request a quote for BAS 00964098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964098?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.