BAS 00396585
TL;DR: BAS 00396585 (CAS 331672-15-2) is a chemical compound with molecular formula C28H26N6O3 and molecular weight 494.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-dibenzyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00396585, 4-methoxybenzaldehyde (1,7-dibenzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone, 1,7-dibenzyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione, 1,7-dibenzyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1,7-DIBENZYL-8-(N'-(4-MEO-BENZYLIDENE)-HYDRAZINO)-3-ME-3,7-2H-PURINE-2,6-DIONE
| Molecular Formula | C28H26N6O3 |
|---|---|
| Molecular Weight | 494.21 g/mol |
| LogP | 3.4479 |
| Topological Polar Surface Area | 95.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.20663 |
| Heavy Atoms | 37 |
| Complexity | 1667.6685 |
Chemical Identifiers
| CAS Number | 331672-15-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)N/N=C/C4=CC=C(C=C4)OC)CC5=CC=CC=C5 |
Product Overview
BAS 00396585 (CAS 331672-15-2), with molecular formula C28H26N6O3 and molecular weight 494.21 g/mol. IUPAC: 1,7-dibenzyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00396585
Property Insights of BAS 00396585
The XLogP value of 3.4479 indicates that BAS 00396585 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.44 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00396585. Following Lipinski's Rule of Five, BAS 00396585 has 1 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 00396585?
The CAS number of BAS 00396585 is 331672-15-2.
What is the molecular formula of BAS 00396585?
The molecular formula of BAS 00396585 is C28H26N6O3.
What is the molecular weight of BAS 00396585?
The molecular weight of BAS 00396585 is 494.21 g/mol.
Where can I buy BAS 00396585?
You can request a quote for BAS 00396585 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00396585?
Yes, KEHONG BIO provides custom synthesis services for BAS 00396585 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.