![1-[(3-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione structure](/static/products/374/374098-22-3.png)
1-[(3-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione
TL;DR: 1-[(3-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione (CAS 374098-22-3) is a chemical compound with molecular formula C14H12BrClN4O2 and molecular weight 381.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione
Also Known As: 1-(3-bromobenzyl)-8-chloro-3,7-dimethyl-xanthine, 1-[(3-bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione, 1-(3-bromobenzyl)-8-chloro-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 1-(3-bromobenzyl)-8-chloro-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-[(3-bromophenyl)methyl]-8-chloranyl-3,7-dimethyl-purine-2,6-dione
| Molecular Formula | C14H12BrClN4O2 |
|---|---|
| Molecular Weight | 381.98 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.98322 |
| Heavy Atoms | 22 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 374098-22-3 |
|---|---|
| SMILES | CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)CC3=CC(=CC=C3)Br)C |
| InChIKey | GIFNEFRXIUPPAK-UHFFFAOYSA-N |
Product Overview
1-[(3-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione (CAS 374098-22-3), with molecular formula C14H12BrClN4O2 and molecular weight 381.98 g/mol. IUPAC: 1-[(3-bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-[(3-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione
Property Insights of 1-[(3-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione. With a topological polar surface area (TPSA) of 58.4 Ų, 1-[(3-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione has 0 hydrogen bond donor(s) and 3 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-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione?
The CAS number of 1-[(3-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione is 374098-22-3.
What is the molecular formula of 1-[(3-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione?
The molecular formula of 1-[(3-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione is C14H12BrClN4O2.
What is the molecular weight of 1-[(3-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione?
The molecular weight of 1-[(3-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione is 381.98 g/mol.
Where can I buy 1-[(3-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione?
You can request a quote for 1-[(3-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-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-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Bromophenyl)methyl]-8-chloro-3,7-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.