RefChem:545065
TL;DR: RefChem:545065 (CAS 476479-89-7) is a chemical compound with molecular formula C19H24ClN5O5 and molecular weight 437.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione
Also Known As: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-[(3-methoxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione, 631-778-5, 7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-(3-(4-Chlorophenoxy)-2-hydroxypropyl)-8-((3-methoxypropyl)amino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H24ClN5O5 |
|---|---|
| Molecular Weight | 437.15 g/mol |
| LogP | 0.965 |
| Topological Polar Surface Area | 123.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 437.1466 |
| Heavy Atoms | 30 |
| Complexity | 1105.4312 |
Chemical Identifiers
| CAS Number | 476479-89-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCOC)CC(COC3=CC=C(C=C3)Cl)O |
Product Overview
RefChem:545065 (CAS 476479-89-7), with molecular formula C19H24ClN5O5 and molecular weight 437.15 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione.
Chemical Property Profile of RefChem:545065
Property Insights of RefChem:545065
The XLogP value of 0.965 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:545065. The TPSA of 123.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:545065. Following Lipinski's Rule of Five, RefChem:545065 has 3 hydrogen bond donor(s) and 7 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 RefChem:545065?
The CAS number of RefChem:545065 is 476479-89-7.
What is the molecular formula of RefChem:545065?
The molecular formula of RefChem:545065 is C19H24ClN5O5.
What is the molecular weight of RefChem:545065?
The molecular weight of RefChem:545065 is 437.15 g/mol.
Where can I buy RefChem:545065?
You can request a quote for RefChem:545065 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:545065?
Yes, KEHONG BIO provides custom synthesis services for RefChem:545065 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.