8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione
TL;DR: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione (CAS 851941-10-1) is a chemical compound with molecular formula C22H29N5O2 and molecular weight 395.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5782250:001, 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione, 1,3-dimethyl-7-pentyl-8-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1,3-dimethyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-7-pentyl-8-(2-1,2,3,4-tetrahydroisoquinolylmethyl)-1,3,7-trihydro purine-2,6-dione
| Molecular Formula | C22H29N5O2 |
|---|---|
| Molecular Weight | 395.23 g/mol |
| LogP | 2.1822 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.23212 |
| Heavy Atoms | 29 |
| Complexity | 1154.4446 |
Chemical Identifiers
| CAS Number | 851941-10-1 |
|---|---|
| SMILES | CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC4=CC=CC=C4C3 |
Product Overview
8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione (CAS 851941-10-1), with molecular formula C22H29N5O2 and molecular weight 395.23 g/mol. IUPAC: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione.
Chemical Property Profile of 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione
Property Insights of 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione
The XLogP value of 2.1822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-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 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione?
The CAS number of 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione is 851941-10-1.
What is the molecular formula of 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione?
The molecular formula of 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione is C22H29N5O2.
What is the molecular weight of 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione?
The molecular weight of 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione is 395.23 g/mol.
Where can I buy 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione?
You can request a quote for 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-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-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-7-pentylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.