8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 6321-57-9) is a chemical compound with molecular formula C13H19N5O2 and molecular weight 277.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(cyclohexylamino)-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-(cyclohexylamino)-1,3-dimethyl-7H-purine-2,6-dione, VU0630749-1, 8-(cyclohexylamino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, F5032-0036
| Molecular Formula | C13H19N5O2 |
|---|---|
| Molecular Weight | 277.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.15387 |
| Heavy Atoms | 20 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 6321-57-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3CCCCC3 |
| InChIKey | FWRCBPOVHRPPMV-UHFFFAOYSA-N |
Product Overview
8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 6321-57-9), with molecular formula C13H19N5O2 and molecular weight 277.15 g/mol. IUPAC: 8-(cyclohexylamino)-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione has 2 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 8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 6321-57-9.
What is the molecular formula of 8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C13H19N5O2.
What is the molecular weight of 8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 277.15 g/mol.
Where can I buy 8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.