![1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione structure](/static/products/577/577985-57-0.png)
1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione
TL;DR: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione (CAS 577985-57-0) is a chemical compound with molecular formula C20H26BrN5O3 and molecular weight 463.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione
Also Known As: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione, 1-(4-bromobenzyl)-8-((3-isopropoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-(4-bromobenzyl)-3,7-dimethyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C20H26BrN5O3 |
|---|---|
| Molecular Weight | 463.12 g/mol |
| LogP | 2.4715 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 463.1219 |
| Heavy Atoms | 29 |
| Complexity | 1112.3228 |
Chemical Identifiers
| CAS Number | 577985-57-0 |
|---|---|
| SMILES | CC(C)OCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Br |
Product Overview
1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione (CAS 577985-57-0), with molecular formula C20H26BrN5O3 and molecular weight 463.12 g/mol. IUPAC: 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione.
Chemical Property Profile of 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione
Property Insights of 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione
The XLogP value of 2.4715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione. Following Lipinski's Rule of Five, 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione 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-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione?
The CAS number of 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione is 577985-57-0.
What is the molecular formula of 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione?
The molecular formula of 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione is C20H26BrN5O3.
What is the molecular weight of 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione?
The molecular weight of 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione is 463.12 g/mol.
Where can I buy 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione?
You can request a quote for 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)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 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-bromophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.