BAS 00964106
TL;DR: BAS 00964106 (CAS 303970-06-1) is a chemical compound with molecular formula C22H19N7O3 and molecular weight 429.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Also Known As: BAS 00964106, 3-methyl-7-(4-methylbenzyl)-8-[(2Z)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-7-[(4-methylphenyl)methyl]-8-[2-(2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione, (Z)-3-methyl-7-(4-methylbenzyl)-8-(2-(2-oxoindolin-3-ylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-(4-methylbenzyl)-8-[2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H19N7O3 |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | 3.38232 |
| Topological Polar Surface Area | 133.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.15494 |
| Heavy Atoms | 32 |
| Complexity | 1618.1611 |
Chemical Identifiers
| CAS Number | 303970-06-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2N=NC4=C(NC5=CC=CC=C54)O)N(C(=O)NC3=O)C |
Product Overview
BAS 00964106 (CAS 303970-06-1), with molecular formula C22H19N7O3 and molecular weight 429.15 g/mol. IUPAC: 8-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of BAS 00964106
Property Insights of BAS 00964106
The XLogP value of 3.38232 indicates that BAS 00964106 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.42 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00964106. Following Lipinski's Rule of Five, BAS 00964106 has 3 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 00964106?
The CAS number of BAS 00964106 is 303970-06-1.
What is the molecular formula of BAS 00964106?
The molecular formula of BAS 00964106 is C22H19N7O3.
What is the molecular weight of BAS 00964106?
The molecular weight of BAS 00964106 is 429.15 g/mol.
Where can I buy BAS 00964106?
You can request a quote for BAS 00964106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964106?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.