BAS 00552994
TL;DR: BAS 00552994 (CAS 1164483-29-7) is a chemical compound with molecular formula C17H16Cl2N4O2S and molecular weight 410.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(Z)-3-chlorobut-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00552994, 7-[(Z)-3-chlorobut-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione, (Z)-8-((4-chlorobenzyl)thio)-7-(3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-((2Z)-3-chlorobut-2-enyl)-8-[(4-chlorophenyl)methylthio]-3-methyl-1,3,7-trih ydropurine-2,6-dione, 8-(4-Chloro-benzylsulfanyl)-7-((Z)-3-chloro-but-2-enyl)-3-methyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C17H16Cl2N4O2S |
|---|---|
| Molecular Weight | 410.04 g/mol |
| LogP | 3.5116 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.0371 |
| Heavy Atoms | 26 |
| Complexity | 1092.8789 |
Chemical Identifiers
| CAS Number | 1164483-29-7 |
|---|---|
| SMILES | C/C(=C/CN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C)/Cl |
Product Overview
BAS 00552994 (CAS 1164483-29-7), with molecular formula C17H16Cl2N4O2S and molecular weight 410.04 g/mol. IUPAC: 7-[(Z)-3-chlorobut-2-enyl]-8-[(4-chlorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00552994
Property Insights of BAS 00552994
The XLogP value of 3.5116 indicates that BAS 00552994 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 00552994. Following Lipinski's Rule of Five, BAS 00552994 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 00552994?
The CAS number of BAS 00552994 is 1164483-29-7.
What is the molecular formula of BAS 00552994?
The molecular formula of BAS 00552994 is C17H16Cl2N4O2S.
What is the molecular weight of BAS 00552994?
The molecular weight of BAS 00552994 is 410.04 g/mol.
Where can I buy BAS 00552994?
You can request a quote for BAS 00552994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00552994?
Yes, KEHONG BIO provides custom synthesis services for BAS 00552994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.