RefChem:545135
TL;DR: RefChem:545135 (CAS 478252-53-8) is a chemical compound with molecular formula C18H18Cl2N4O2S and molecular weight 424.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(4-chlorobenzyl)-8-{[(2Z)-3-chloro-2-butenyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, (Z)-7-(4-chlorobenzyl)-8-((3-chlorobut-2-en-1-yl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 633-543-2, 7-(4-Chlorobenzyl)-8-(((2Z)-3-chloro-2-butenyl)sulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-(4-chlorobenzyl)-8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H18Cl2N4O2S |
|---|---|
| Molecular Weight | 424.05 g/mol |
| LogP | 3.3701 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.05276 |
| Heavy Atoms | 27 |
| Complexity | 1139.3536 |
Chemical Identifiers
| CAS Number | 478252-53-8 |
|---|---|
| SMILES | C/C(=C/CSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N(C(=O)N2C)C)/Cl |
Product Overview
RefChem:545135 (CAS 478252-53-8), with molecular formula C18H18Cl2N4O2S and molecular weight 424.05 g/mol. IUPAC: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of RefChem:545135
Property Insights of RefChem:545135
The XLogP value of 3.3701 indicates that RefChem:545135 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:545135. Following Lipinski's Rule of Five, RefChem:545135 has 0 hydrogen bond donor(s) and 4 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:545135?
The CAS number of RefChem:545135 is 478252-53-8.
What is the molecular formula of RefChem:545135?
The molecular formula of RefChem:545135 is C18H18Cl2N4O2S.
What is the molecular weight of RefChem:545135?
The molecular weight of RefChem:545135 is 424.05 g/mol.
Where can I buy RefChem:545135?
You can request a quote for RefChem:545135 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:545135?
Yes, KEHONG BIO provides custom synthesis services for RefChem:545135 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.