AB00787099-01
TL;DR: AB00787099-01 (CAS 685106-34-7) is a chemical compound with molecular formula C18H21BrN6O3 and molecular weight 448.09 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-(2-methylpropyl)purine-2,6-dione
Also Known As: AB00787099-01, F1064-0168, (E)-8-(2-(5-bromo-2-methoxybenzylidene)hydrazinyl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione, 8-[(E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C18H21BrN6O3 |
|---|---|
| Molecular Weight | 448.09 g/mol |
| LogP | 2.2964 |
| Topological Polar Surface Area | 106.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.08585 |
| Heavy Atoms | 28 |
| Complexity | 1158.563 |
Chemical Identifiers
| CAS Number | 685106-34-7 |
|---|---|
| SMILES | CC(C)CN1C2=C(N=C1N/N=C/C3=C(C=CC(=C3)Br)OC)N(C(=O)NC2=O)C |
Product Overview
AB00787099-01 (CAS 685106-34-7), with molecular formula C18H21BrN6O3 and molecular weight 448.09 g/mol. IUPAC: 8-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(2-methylpropyl)purine-2,6-dione.
Chemical Property Profile of AB00787099-01
Property Insights of AB00787099-01
The XLogP value of 2.2964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00787099-01. The TPSA of 106.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00787099-01. Following Lipinski's Rule of Five, AB00787099-01 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 AB00787099-01?
The CAS number of AB00787099-01 is 685106-34-7.
What is the molecular formula of AB00787099-01?
The molecular formula of AB00787099-01 is C18H21BrN6O3.
What is the molecular weight of AB00787099-01?
The molecular weight of AB00787099-01 is 448.09 g/mol.
Where can I buy AB00787099-01?
You can request a quote for AB00787099-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00787099-01?
Yes, KEHONG BIO provides custom synthesis services for AB00787099-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.