RefChem:545066
TL;DR: RefChem:545066 (CAS 476479-90-0) is a chemical compound with molecular formula C21H29N5O5 and molecular weight 431.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione
Also Known As: 7-(3-(4-ethylphenoxy)-2-hydroxypropyl)-8-((3-methoxypropyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, AB00685802-01, 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-[(3-methoxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, F1289-0008, 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-[(3-methoxypropyl)amino]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C21H29N5O5 |
|---|---|
| Molecular Weight | 431.22 g/mol |
| LogP | 0.874 |
| Topological Polar Surface Area | 123.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 431.21686 |
| Heavy Atoms | 31 |
| Complexity | 1116.1213 |
Chemical Identifiers
| CAS Number | 476479-90-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NCCCOC)N(C(=O)NC3=O)C)O |
Product Overview
RefChem:545066 (CAS 476479-90-0), with molecular formula C21H29N5O5 and molecular weight 431.22 g/mol. IUPAC: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-(3-methoxypropylamino)-3-methylpurine-2,6-dione.
Chemical Property Profile of RefChem:545066
Property Insights of RefChem:545066
The XLogP value of 0.874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:545066. The TPSA of 123.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:545066. Following Lipinski's Rule of Five, RefChem:545066 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:545066?
The CAS number of RefChem:545066 is 476479-90-0.
What is the molecular formula of RefChem:545066?
The molecular formula of RefChem:545066 is C21H29N5O5.
What is the molecular weight of RefChem:545066?
The molecular weight of RefChem:545066 is 431.22 g/mol.
Where can I buy RefChem:545066?
You can request a quote for RefChem:545066 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:545066?
Yes, KEHONG BIO provides custom synthesis services for RefChem:545066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.