1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine
TL;DR: 1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine (CAS 577999-02-1) is a chemical compound with molecular formula C22H22BrN5O3 and molecular weight 483.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-bromophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3,7-dimethylpurine-2,6-dione
Also Known As: 1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine, 1-[(4-bromophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3,7-dimethylpurine-2,6-dione, 1-(4-bromobenzyl)-8-((4-methoxybenzyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-[(4-bromophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3,7-dimethyl-purine-2,6-dione, 1-(4-bromobenzyl)-8-[(4-methoxybenzyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H22BrN5O3 |
|---|---|
| Molecular Weight | 483.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.0906 |
| Heavy Atoms | 31 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 577999-02-1 |
|---|---|
| SMILES | CN1C2=C(N=C1NCC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Br)C |
| InChIKey | XKELOXGKCHGZFZ-UHFFFAOYSA-N |
Product Overview
1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine (CAS 577999-02-1), with molecular formula C22H22BrN5O3 and molecular weight 483.09 g/mol. IUPAC: 1-[(4-bromophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine
Property Insights of 1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine
The XLogP value of 3.5 indicates that 1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine. Following Lipinski's Rule of Five, 1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine has 1 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 1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine?
The CAS number of 1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine is 577999-02-1.
What is the molecular formula of 1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine?
The molecular formula of 1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine is C22H22BrN5O3.
What is the molecular weight of 1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine?
The molecular weight of 1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine is 483.09 g/mol.
Where can I buy 1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine?
You can request a quote for 1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromobenzyl)-3,7-dimethyl-8-(p-anisylamino)xanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.