BIM-0042460.P001
TL;DR: BIM-0042460.P001 (CAS 374102-76-8) is a chemical compound with molecular formula C21H19ClN6O2 and molecular weight 422.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-8-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
Also Known As: BIM-0042460.P001, 2-chlorobenzaldehyde (7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazone, 7-benzyl-8-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione, (E)-7-benzyl-8-(2-(2-chlorobenzylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-benzyl-8-[(2E)-2-(2-chlorobenzylidene)hydrazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H19ClN6O2 |
|---|---|
| Molecular Weight | 422.13 g/mol |
| LogP | 2.5814 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.1258 |
| Heavy Atoms | 30 |
| Complexity | 1368.2634 |
Chemical Identifiers
| CAS Number | 374102-76-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC=CC=C3Cl)CC4=CC=CC=C4 |
Product Overview
BIM-0042460.P001 (CAS 374102-76-8), with molecular formula C21H19ClN6O2 and molecular weight 422.13 g/mol. IUPAC: 7-benzyl-8-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BIM-0042460.P001
Property Insights of BIM-0042460.P001
The XLogP value of 2.5814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0042460.P001. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0042460.P001. Following Lipinski's Rule of Five, BIM-0042460.P001 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 BIM-0042460.P001?
The CAS number of BIM-0042460.P001 is 374102-76-8.
What is the molecular formula of BIM-0042460.P001?
The molecular formula of BIM-0042460.P001 is C21H19ClN6O2.
What is the molecular weight of BIM-0042460.P001?
The molecular weight of BIM-0042460.P001 is 422.13 g/mol.
Where can I buy BIM-0042460.P001?
You can request a quote for BIM-0042460.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0042460.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0042460.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.