ChemDiv3_003382
TL;DR: ChemDiv3_003382 (CAS 377063-23-5) is a chemical compound with molecular formula C24H24N4O3S and molecular weight 448.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-phenacylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: ChemDiv3_003382, IDI1_021292, AB00685696-01, 1,3-dimethyl-8-((2-oxo-2-phenylethyl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione, BRD-K23541543-001-01-3
| Molecular Formula | C24H24N4O3S |
|---|---|
| Molecular Weight | 448.16 g/mol |
| LogP | 3.0415 |
| Topological Polar Surface Area | 78.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.15692 |
| Heavy Atoms | 32 |
| Complexity | 1371.8844 |
Chemical Identifiers
| CAS Number | 377063-23-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)C3=CC=CC=C3)CCCC4=CC=CC=C4 |
Product Overview
ChemDiv3_003382 (CAS 377063-23-5), with molecular formula C24H24N4O3S and molecular weight 448.16 g/mol. IUPAC: 1,3-dimethyl-8-phenacylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of ChemDiv3_003382
Property Insights of ChemDiv3_003382
The XLogP value of 3.0415 indicates that ChemDiv3_003382 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003382. Following Lipinski's Rule of Five, ChemDiv3_003382 has 0 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 ChemDiv3_003382?
The CAS number of ChemDiv3_003382 is 377063-23-5.
What is the molecular formula of ChemDiv3_003382?
The molecular formula of ChemDiv3_003382 is C24H24N4O3S.
What is the molecular weight of ChemDiv3_003382?
The molecular weight of ChemDiv3_003382 is 448.16 g/mol.
Where can I buy ChemDiv3_003382?
You can request a quote for ChemDiv3_003382 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003382?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003382 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.