BAS 00964105
TL;DR: BAS 00964105 (CAS 303970-28-7) is a chemical compound with molecular formula C22H21N7O4 and molecular weight 447.17 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-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione
Also Known As: BAS 00964105, 3-methyl-7-(4-methylbenzyl)-8-{(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione, (E)-3-methyl-7-(4-methylbenzyl)-8-(2-(1-(4-nitrophenyl)ethylidene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-[(4-methylphenyl)methyl]-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione, 8-{[(1E)-2-(4-nitrophenyl)-1-azaprop-1-enyl]amino}-3-methyl-7-[(4-methylphenyl )methyl]-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C22H21N7O4 |
|---|---|
| Molecular Weight | 447.17 g/mol |
| LogP | 2.52432 |
| Topological Polar Surface Area | 140.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.1655 |
| Heavy Atoms | 33 |
| Complexity | 1493.5221 |
Chemical Identifiers
| CAS Number | 303970-28-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=C(N=C2N/N=C(\C)/C4=CC=C(C=C4)[N+](=O)[O-])N(C(=O)NC3=O)C |
Product Overview
BAS 00964105 (CAS 303970-28-7), with molecular formula C22H21N7O4 and molecular weight 447.17 g/mol. IUPAC: 3-methyl-7-[(4-methylphenyl)methyl]-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione.
Chemical Property Profile of BAS 00964105
Property Insights of BAS 00964105
The XLogP value of 2.52432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00964105. The TPSA of 140.21 Ų indicates high polarity, suggesting BAS 00964105 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00964105 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 00964105?
The CAS number of BAS 00964105 is 303970-28-7.
What is the molecular formula of BAS 00964105?
The molecular formula of BAS 00964105 is C22H21N7O4.
What is the molecular weight of BAS 00964105?
The molecular weight of BAS 00964105 is 447.17 g/mol.
Where can I buy BAS 00964105?
You can request a quote for BAS 00964105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00964105?
Yes, KEHONG BIO provides custom synthesis services for BAS 00964105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.