1-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 1-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 1001464-14-7) is a chemical compound with molecular formula C19H19ClN6O2 and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione
Also Known As: 1-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, VU0510683-1, F3144-0147, 1-[(4-chlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione, 1-[(4-chlorophenyl)methyl]-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C19H19ClN6O2 |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 1.93794 |
| Topological Polar Surface Area | 79.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.1258 |
| Heavy Atoms | 28 |
| Complexity | 1323.9453 |
Chemical Identifiers
| CAS Number | 1001464-14-7 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Cl)C |
Product Overview
1-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 1001464-14-7), with molecular formula C19H19ClN6O2 and molecular weight 398.13 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 1-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.93794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 79.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-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-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 1001464-14-7.
What is the molecular formula of 1-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is C19H19ClN6O2.
What is the molecular weight of 1-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 398.13 g/mol.
Where can I buy 1-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-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-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.