BAS 00396589
TL;DR: BAS 00396589 (CAS 300700-63-4) is a chemical compound with molecular formula C27H24N6O2 and molecular weight 464.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-dibenzyl-8-[(2E)-2-benzylidenehydrazinyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00396589, 1,7-dibenzyl-8-[(2E)-2-benzylidenehydrazinyl]-3-methylpurine-2,6-dione, 1,7-dibenzyl-8-[(2E)-2-benzylidenehydrazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, (E)-1,7-dibenzyl-8-(2-benzylidenehydrazinyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 1,7-Dibenzyl-8-(N'-benzylidene-hydrazino)-3-methyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C27H24N6O2 |
|---|---|
| Molecular Weight | 464.20 g/mol |
| LogP | 3.4393 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.19608 |
| Heavy Atoms | 35 |
| Complexity | 1600.887 |
Chemical Identifiers
| CAS Number | 300700-63-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)N/N=C/C4=CC=CC=C4)CC5=CC=CC=C5 |
Product Overview
BAS 00396589 (CAS 300700-63-4), with molecular formula C27H24N6O2 and molecular weight 464.20 g/mol. IUPAC: 1,7-dibenzyl-8-[(2E)-2-benzylidenehydrazinyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00396589
Property Insights of BAS 00396589
The XLogP value of 3.4393 indicates that BAS 00396589 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00396589. Following Lipinski's Rule of Five, BAS 00396589 has 1 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 00396589?
The CAS number of BAS 00396589 is 300700-63-4.
What is the molecular formula of BAS 00396589?
The molecular formula of BAS 00396589 is C27H24N6O2.
What is the molecular weight of BAS 00396589?
The molecular weight of BAS 00396589 is 464.20 g/mol.
Where can I buy BAS 00396589?
You can request a quote for BAS 00396589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00396589?
Yes, KEHONG BIO provides custom synthesis services for BAS 00396589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.