AB00686316-01
TL;DR: AB00686316-01 (CAS 674305-35-2) is a chemical compound with molecular formula C15H15N7O2 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-prop-2-enyl-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione
Also Known As: AB00686316-01, F1614-0018, (E)-7-allyl-3-methyl-8-(2-(pyridin-3-ylmethylene)hydrazinyl)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-prop-2-enyl-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione, 3-methyl-7-(prop-2-en-1-yl)-8-[(E)-2-[(pyridin-3-yl)methylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C15H15N7O2 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 0.4503 |
| Topological Polar Surface Area | 109.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.12872 |
| Heavy Atoms | 24 |
| Complexity | 1027.6426 |
Chemical Identifiers
| CAS Number | 674305-35-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CN=CC=C3)CC=C |
Product Overview
AB00686316-01 (CAS 674305-35-2), with molecular formula C15H15N7O2 and molecular weight 325.13 g/mol. IUPAC: 3-methyl-7-prop-2-enyl-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]purine-2,6-dione.
Chemical Property Profile of AB00686316-01
Property Insights of AB00686316-01
The XLogP value of 0.4503 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686316-01. The TPSA of 109.96 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686316-01. Following Lipinski's Rule of Five, AB00686316-01 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 AB00686316-01?
The CAS number of AB00686316-01 is 674305-35-2.
What is the molecular formula of AB00686316-01?
The molecular formula of AB00686316-01 is C15H15N7O2.
What is the molecular weight of AB00686316-01?
The molecular weight of AB00686316-01 is 325.13 g/mol.
Where can I buy AB00686316-01?
You can request a quote for AB00686316-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686316-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686316-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.