![7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione structure](/static/products/3316/331675-31-1.webp)
7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione
TL;DR: 7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione (CAS 331675-31-1) is a chemical compound with molecular formula C17H20ClN5O4 and molecular weight 393.12 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-(ethylamino)-3-methylpurine-2,6-dione
Also Known As: BAS 00458059, F0373-0646, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-8-(ethylamino)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H20ClN5O4 |
|---|---|
| Molecular Weight | 393.12 g/mol |
| LogP | 0.9484 |
| Topological Polar Surface Area | 114.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.1204 |
| Heavy Atoms | 27 |
| Complexity | 1054.1016 |
Chemical Identifiers
| CAS Number | 331675-31-1 |
|---|---|
| SMILES | CCNC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C |
Product Overview
7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione (CAS 331675-31-1), with molecular formula C17H20ClN5O4 and molecular weight 393.12 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione
Property Insights of 7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione
The XLogP value of 0.9484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione. The TPSA of 114.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione has 3 hydrogen bond donor(s) and 6 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 7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione?
The CAS number of 7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione is 331675-31-1.
What is the molecular formula of 7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione?
The molecular formula of 7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione is C17H20ClN5O4.
What is the molecular weight of 7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione?
The molecular weight of 7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione is 393.12 g/mol.
Where can I buy 7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione?
You can request a quote for 7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-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 7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[3-(4-Chlorophenoxy)-2-hydroxypropyl]-8-(ethylamino)-3-methylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.