AB00685511-01
TL;DR: AB00685511-01 (CAS 682776-11-0) is a chemical compound with molecular formula C21H21N7O2 and molecular weight 403.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(2-phenylethyl)-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione
Also Known As: AB00685511-01, (E)-1,3-dimethyl-7-phenethyl-8-(2-(pyridin-4-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, F1064-0103, 1,3-dimethyl-7-(2-phenylethyl)-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione, 1,3-dimethyl-7-(2-phenylethyl)-8-[(E)-2-[(pyridin-4-yl)methylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C21H21N7O2 |
|---|---|
| Molecular Weight | 403.18 g/mol |
| LogP | 1.5174 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.17566 |
| Heavy Atoms | 30 |
| Complexity | 1318.9716 |
Chemical Identifiers
| CAS Number | 682776-11-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N/N=C/C3=CC=NC=C3)CCC4=CC=CC=C4 |
Product Overview
AB00685511-01 (CAS 682776-11-0), with molecular formula C21H21N7O2 and molecular weight 403.18 g/mol. IUPAC: 1,3-dimethyl-7-(2-phenylethyl)-8-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]purine-2,6-dione.
Chemical Property Profile of AB00685511-01
Property Insights of AB00685511-01
The XLogP value of 1.5174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685511-01. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685511-01. Following Lipinski's Rule of Five, AB00685511-01 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 AB00685511-01?
The CAS number of AB00685511-01 is 682776-11-0.
What is the molecular formula of AB00685511-01?
The molecular formula of AB00685511-01 is C21H21N7O2.
What is the molecular weight of AB00685511-01?
The molecular weight of AB00685511-01 is 403.18 g/mol.
Where can I buy AB00685511-01?
You can request a quote for AB00685511-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685511-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685511-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.