AB00787091-01
TL;DR: AB00787091-01 (CAS 374916-08-2) is a chemical compound with molecular formula C16H17BrN6O2 and molecular weight 404.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione
Also Known As: AB00787091-01, (E)-8-(2-(4-bromobenzylidene)hydrazinyl)-7-ethyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, F0801-0020, 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione, 8-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H17BrN6O2 |
|---|---|
| Molecular Weight | 404.06 g/mol |
| LogP | 1.6621 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.05963 |
| Heavy Atoms | 25 |
| Complexity | 1075.1736 |
Chemical Identifiers
| CAS Number | 374916-08-2 |
|---|---|
| SMILES | CCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)Br)N(C(=O)N(C2=O)C)C |
Product Overview
AB00787091-01 (CAS 374916-08-2), with molecular formula C16H17BrN6O2 and molecular weight 404.06 g/mol. IUPAC: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of AB00787091-01
Property Insights of AB00787091-01
The XLogP value of 1.6621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00787091-01. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00787091-01. Following Lipinski's Rule of Five, AB00787091-01 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 AB00787091-01?
The CAS number of AB00787091-01 is 374916-08-2.
What is the molecular formula of AB00787091-01?
The molecular formula of AB00787091-01 is C16H17BrN6O2.
What is the molecular weight of AB00787091-01?
The molecular weight of AB00787091-01 is 404.06 g/mol.
Where can I buy AB00787091-01?
You can request a quote for AB00787091-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00787091-01?
Yes, KEHONG BIO provides custom synthesis services for AB00787091-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.