RefChem:1058433
TL;DR: RefChem:1058433 (CAS 147700-46-7) is a chemical compound with molecular formula C20H23ClN4O2 and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(E)-2-(3-chlorophenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Also Known As: (E)-8-(3-Chlorostyryl)-7-methyl-1,3-dipropylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-chlorophenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-, 1,3-dipropyl-7-methyl-8-(3-chlorostyryl)xanthine, (E)-8-(2-(3-Chlorophenyl)ethenyl)-1,3-dipropyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-[(E)-2-(3-chlorophenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
| Molecular Formula | C20H23ClN4O2 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | 3.5405 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.15094 |
| Heavy Atoms | 27 |
| Complexity | 1121.4377 |
Chemical Identifiers
| CAS Number | 147700-46-7 |
|---|---|
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=CC=C3)Cl)C |
Product Overview
RefChem:1058433 (CAS 147700-46-7), with molecular formula C20H23ClN4O2 and molecular weight 386.15 g/mol. IUPAC: 8-[(E)-2-(3-chlorophenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione.
Chemical Property Profile of RefChem:1058433
Property Insights of RefChem:1058433
The XLogP value of 3.5405 indicates that RefChem:1058433 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058433. Following Lipinski's Rule of Five, RefChem:1058433 has 0 hydrogen bond donor(s) and 3 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:1058433?
The CAS number of RefChem:1058433 is 147700-46-7.
What is the molecular formula of RefChem:1058433?
The molecular formula of RefChem:1058433 is C20H23ClN4O2.
What is the molecular weight of RefChem:1058433?
The molecular weight of RefChem:1058433 is 386.15 g/mol.
Where can I buy RefChem:1058433?
You can request a quote for RefChem:1058433 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058433?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058433 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.