ChemDiv2_006447
TL;DR: ChemDiv2_006447 (CAS 838875-77-7) is a chemical compound with molecular formula C16H25N5O2 and molecular weight 319.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione
Also Known As: ChemDiv2_006447, IDI1_005162, UPCMLD0ENAT5774730:001, F0634-0004, 7-ethyl-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C16H25N5O2 |
|---|---|
| Molecular Weight | 319.20 g/mol |
| LogP | 0.828 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.20084 |
| Heavy Atoms | 23 |
| Complexity | 844.74335 |
Chemical Identifiers
| CAS Number | 838875-77-7 |
|---|---|
| SMILES | CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3C |
Product Overview
ChemDiv2_006447 (CAS 838875-77-7), with molecular formula C16H25N5O2 and molecular weight 319.20 g/mol. IUPAC: 7-ethyl-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione.
Chemical Property Profile of ChemDiv2_006447
Property Insights of ChemDiv2_006447
The XLogP value of 0.828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006447. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006447. Following Lipinski's Rule of Five, ChemDiv2_006447 has 0 hydrogen bond donor(s) and 4 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 ChemDiv2_006447?
The CAS number of ChemDiv2_006447 is 838875-77-7.
What is the molecular formula of ChemDiv2_006447?
The molecular formula of ChemDiv2_006447 is C16H25N5O2.
What is the molecular weight of ChemDiv2_006447?
The molecular weight of ChemDiv2_006447 is 319.20 g/mol.
Where can I buy ChemDiv2_006447?
You can request a quote for ChemDiv2_006447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006447?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.