![1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione structure](/static/products/587/587013-69-2.png)
1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione
TL;DR: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione (CAS 587013-69-2) is a chemical compound with molecular formula C20H25Cl2N5O3 and molecular weight 453.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione
Also Known As: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione, 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-{[3-(propan-2-yloxy)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione, 1-(2,4-dichlorobenzyl)-8-((3-isopropoxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C20H25Cl2N5O3 |
|---|---|
| Molecular Weight | 453.13 g/mol |
| LogP | 3.0158 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.13345 |
| Heavy Atoms | 30 |
| Complexity | 1179.8694 |
Chemical Identifiers
| CAS Number | 587013-69-2 |
|---|---|
| SMILES | CC(C)OCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=C(C=C(C=C3)Cl)Cl |
Product Overview
1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione (CAS 587013-69-2), with molecular formula C20H25Cl2N5O3 and molecular weight 453.13 g/mol. IUPAC: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione.
Chemical Property Profile of 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione
Property Insights of 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione
The XLogP value of 3.0158 indicates that 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione. Following Lipinski's Rule of Five, 1-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione?
The CAS number of 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione is 587013-69-2.
What is the molecular formula of 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione?
The molecular formula of 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione is C20H25Cl2N5O3.
What is the molecular weight of 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione?
The molecular weight of 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione is 453.13 g/mol.
Where can I buy 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione?
You can request a quote for 1-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2,4-dichlorophenyl)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.