RefChem:1058341
TL;DR: RefChem:1058341 (CAS 141807-98-9) is a chemical compound with molecular formula C23H30N4O5 and molecular weight 442.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione
Also Known As: (E)-7-Methyl-1,3-dipropyl-8-(3,4,5-trimethoxystyryl)xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-methyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-,(E)-, 7-Methyl-1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]xanthine, 7-methyl-1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione, 7-methyl-1,3-dipropyl-8-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C23H30N4O5 |
|---|---|
| Molecular Weight | 442.22 g/mol |
| LogP | 2.9129 |
| Topological Polar Surface Area | 89.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 442.22162 |
| Heavy Atoms | 32 |
| Complexity | 1241.0933 |
Chemical Identifiers
| CAS Number | 141807-98-9 |
|---|---|
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=C(C(=C3)OC)OC)OC)C |
Product Overview
RefChem:1058341 (CAS 141807-98-9), with molecular formula C23H30N4O5 and molecular weight 442.22 g/mol. IUPAC: 7-methyl-1,3-dipropyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione.
Chemical Property Profile of RefChem:1058341
Property Insights of RefChem:1058341
The XLogP value of 2.9129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058341. The TPSA of 89.51 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058341. Following Lipinski's Rule of Five, RefChem:1058341 has 0 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 RefChem:1058341?
The CAS number of RefChem:1058341 is 141807-98-9.
What is the molecular formula of RefChem:1058341?
The molecular formula of RefChem:1058341 is C23H30N4O5.
What is the molecular weight of RefChem:1058341?
The molecular weight of RefChem:1058341 is 442.22 g/mol.
Where can I buy RefChem:1058341?
You can request a quote for RefChem:1058341 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058341?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058341 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.