1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 377056-56-9) is a chemical compound with molecular formula C21H27N5O2 and molecular weight 381.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(3-phenylpropyl)-8-piperidin-1-ylpurine-2,6-dione
Also Known As: ChemDiv2_004010, BAS 03041343, IDI1_002725, UPCMLD0ENAT5731142:001, 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H27N5O2 |
|---|---|
| Molecular Weight | 381.22 g/mol |
| LogP | 2.0568 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.21646 |
| Heavy Atoms | 28 |
| Complexity | 1087.9119 |
Chemical Identifiers
| CAS Number | 377056-56-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCCC4=CC=CC=C4 |
Product Overview
1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione (CAS 377056-56-9), with molecular formula C21H27N5O2 and molecular weight 381.22 g/mol. IUPAC: 1,3-dimethyl-7-(3-phenylpropyl)-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.0568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione 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 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 377056-56-9.
What is the molecular formula of 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione is C21H27N5O2.
What is the molecular weight of 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione is 381.22 g/mol.
Where can I buy 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-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-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-7-(3-phenylpropyl)-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.