1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione (CAS 586991-62-0) is a chemical compound with molecular formula C17H27N5O3 and molecular weight 349.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5774753:001, 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentylpurine-2,6-dione, 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-purine-2,6-dione, 1,3-dimethyl-8-(morpholinomethyl)-7-pentyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H27N5O3 |
|---|---|
| Molecular Weight | 349.21 g/mol |
| LogP | 0.4561 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.2114 |
| Heavy Atoms | 25 |
| Complexity | 857.76117 |
Chemical Identifiers
| CAS Number | 586991-62-0 |
|---|---|
| SMILES | CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCOCC3 |
Product Overview
1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione (CAS 586991-62-0), with molecular formula C17H27N5O3 and molecular weight 349.21 g/mol. IUPAC: 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentylpurine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 0.4561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione has 0 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 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione is 586991-62-0.
What is the molecular formula of 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione is C17H27N5O3.
What is the molecular weight of 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione is 349.21 g/mol.
Where can I buy 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-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 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-pentyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.