AB00787095-01
TL;DR: AB00787095-01 (CAS 685106-30-3) is a chemical compound with molecular formula C17H19BrN6O3 and molecular weight 434.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione
Also Known As: AB00787095-01, (E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione, F1064-0157, 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione, 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C17H19BrN6O3 |
|---|---|
| Molecular Weight | 434.07 g/mol |
| LogP | 2.0504 |
| Topological Polar Surface Area | 106.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.0702 |
| Heavy Atoms | 27 |
| Complexity | 1128.1248 |
Chemical Identifiers
| CAS Number | 685106-30-3 |
|---|---|
| SMILES | CCCN1C2=C(N=C1N/N=C/C3=C(C=CC(=C3)Br)OC)N(C(=O)NC2=O)C |
Product Overview
AB00787095-01 (CAS 685106-30-3), with molecular formula C17H19BrN6O3 and molecular weight 434.07 g/mol. IUPAC: 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione.
Chemical Property Profile of AB00787095-01
Property Insights of AB00787095-01
The XLogP value of 2.0504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00787095-01. The TPSA of 106.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00787095-01. Following Lipinski's Rule of Five, AB00787095-01 has 2 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 AB00787095-01?
The CAS number of AB00787095-01 is 685106-30-3.
What is the molecular formula of AB00787095-01?
The molecular formula of AB00787095-01 is C17H19BrN6O3.
What is the molecular weight of AB00787095-01?
The molecular weight of AB00787095-01 is 434.07 g/mol.
Where can I buy AB00787095-01?
You can request a quote for AB00787095-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00787095-01?
Yes, KEHONG BIO provides custom synthesis services for AB00787095-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.