BAS 00553129
TL;DR: BAS 00553129 (CAS 326918-86-9) is a chemical compound with molecular formula C22H21ClN4O2S and molecular weight 440.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: BAS 00553129, 8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione, 8-{[(2-chlorophenyl)methyl]sulfanyl}-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione, 8-{[(2-chlorophenyl)methyl]sulfanyl}-3-methyl-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-((2-chlorobenzyl)thio)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H21ClN4O2S |
|---|---|
| Molecular Weight | 440.11 g/mol |
| LogP | 4.0018 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.10736 |
| Heavy Atoms | 30 |
| Complexity | 1294.2294 |
Chemical Identifiers
| CAS Number | 326918-86-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=CC=C3Cl)CCCC4=CC=CC=C4 |
Product Overview
BAS 00553129 (CAS 326918-86-9), with molecular formula C22H21ClN4O2S and molecular weight 440.11 g/mol. IUPAC: 8-[(2-chlorophenyl)methylsulfanyl]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of BAS 00553129
Property Insights of BAS 00553129
The XLogP value of 4.0018 indicates that BAS 00553129 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00553129. Following Lipinski's Rule of Five, BAS 00553129 has 1 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 BAS 00553129?
The CAS number of BAS 00553129 is 326918-86-9.
What is the molecular formula of BAS 00553129?
The molecular formula of BAS 00553129 is C22H21ClN4O2S.
What is the molecular weight of BAS 00553129?
The molecular weight of BAS 00553129 is 440.11 g/mol.
Where can I buy BAS 00553129?
You can request a quote for BAS 00553129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00553129?
Yes, KEHONG BIO provides custom synthesis services for BAS 00553129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.