RefChem:1058328
TL;DR: RefChem:1058328 (CAS 72754-67-7) is a chemical compound with molecular formula C23H25N5O3 and molecular weight 419.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 5-26-14-00009 (Beilstein Handbook Reference), 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(((4-methoxyphenyl)phenylmethyl)amino)-ethyl)-, 7-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]ethyl]-1,3-dimet, 1h-purine-2,6-dione, 3,7-dihydro-7-[2-[[(4-methoxyphenyl)phenylmethyl]amino]ethyl]-1,3-dimethyl-, 7-(2-((4-Methoxyphenyl)(phenyl)methylamino)ethyl)-1,6(3H,7H)-dione
| Molecular Formula | C23H25N5O3 |
|---|---|
| Molecular Weight | 419.20 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.19574 |
| Heavy Atoms | 31 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 72754-67-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC(C3=CC=CC=C3)C4=CC=C(C=C4)OC |
| InChIKey | PSXHWYTZGBOTRY-UHFFFAOYSA-N |
Product Overview
RefChem:1058328 (CAS 72754-67-7), with molecular formula C23H25N5O3 and molecular weight 419.20 g/mol. IUPAC: 7-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of RefChem:1058328
Property Insights of RefChem:1058328
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058328. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058328. Following Lipinski's Rule of Five, RefChem:1058328 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 RefChem:1058328?
The CAS number of RefChem:1058328 is 72754-67-7.
What is the molecular formula of RefChem:1058328?
The molecular formula of RefChem:1058328 is C23H25N5O3.
What is the molecular weight of RefChem:1058328?
The molecular weight of RefChem:1058328 is 419.20 g/mol.
Where can I buy RefChem:1058328?
You can request a quote for RefChem:1058328 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058328?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058328 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.