A3000/0126370
TL;DR: A3000/0126370 (CAS 682761-55-3) is a chemical compound with molecular formula C15H18N6O2 and molecular weight 314.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione
Also Known As: A3000/0126370, 7-ethyl-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione, 7-ethyl-1,3-dimethyl-8-((pyridin-2-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione, 7-ethyl-1,3-dimethyl-8-[(pyridin-2-ylmethyl)amino]-3,7-dihydro-1H-purine-2,6-dione, 7-ETHYL-1,3-DIMETHYL-8-{[(PYRIDIN-2-YL)METHYL]AMINO}-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C15H18N6O2 |
|---|---|
| Molecular Weight | 314.15 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.1491 |
| Heavy Atoms | 23 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 682761-55-3 |
|---|---|
| SMILES | CCN1C2=C(N=C1NCC3=CC=CC=N3)N(C(=O)N(C2=O)C)C |
| InChIKey | DWLUQZHZDLIOEP-UHFFFAOYSA-N |
Product Overview
A3000/0126370 (CAS 682761-55-3), with molecular formula C15H18N6O2 and molecular weight 314.15 g/mol. IUPAC: 7-ethyl-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione.
Chemical Property Profile of A3000/0126370
Property Insights of A3000/0126370
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3000/0126370. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for A3000/0126370. Following Lipinski's Rule of Five, A3000/0126370 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 A3000/0126370?
The CAS number of A3000/0126370 is 682761-55-3.
What is the molecular formula of A3000/0126370?
The molecular formula of A3000/0126370 is C15H18N6O2.
What is the molecular weight of A3000/0126370?
The molecular weight of A3000/0126370 is 314.15 g/mol.
Where can I buy A3000/0126370?
You can request a quote for A3000/0126370 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3000/0126370?
Yes, KEHONG BIO provides custom synthesis services for A3000/0126370 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.