7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione (CAS 477333-76-9) is a chemical compound with molecular formula C14H12ClN5O4 and molecular weight 349.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione
Also Known As: Salor-int l249203-1ea, ASN 01541693, 7-(4-CHLOROBENZYL)-1,3-DIMETHYL-8-NITRO-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-1H-purine-2,6(3H,7H)-dione, 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-nitro-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C14H12ClN5O4 |
|---|---|
| Molecular Weight | 349.06 g/mol |
| LogP | 1.0436 |
| Topological Polar Surface Area | 104.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.05777 |
| Heavy Atoms | 24 |
| Complexity | 1077.7135 |
Chemical Identifiers
| CAS Number | 477333-76-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CC3=CC=C(C=C3)Cl |
Product Overview
7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione (CAS 477333-76-9), with molecular formula C14H12ClN5O4 and molecular weight 349.06 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione.
Chemical Property Profile of 7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.0436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 104.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-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 7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione is 477333-76-9.
What is the molecular formula of 7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione is C14H12ClN5O4.
What is the molecular weight of 7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione is 349.06 g/mol.
Where can I buy 7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-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 7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-Chlorobenzyl)-1,3-dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.