BAS 12521892
TL;DR: BAS 12521892 (CAS 872623-52-4) is a chemical compound with molecular formula C19H25N7O2S and molecular weight 415.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: BAS 12521892, UPCMLD0ENAT5821783:001, F1889-0311, 7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione, 7-(3-((4,6-dimethylpyrimidin-2-yl)thio)propyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C19H25N7O2S |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 1.61274 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.17905 |
| Heavy Atoms | 29 |
| Complexity | 1137.5497 |
Chemical Identifiers
| CAS Number | 872623-52-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCCCN2C3=C(N=C2N4CCCC4)N(C(=O)NC3=O)C)C |
Product Overview
BAS 12521892 (CAS 872623-52-4), with molecular formula C19H25N7O2S and molecular weight 415.18 g/mol. IUPAC: 7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of BAS 12521892
Property Insights of BAS 12521892
The XLogP value of 1.61274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12521892. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12521892. Following Lipinski's Rule of Five, BAS 12521892 has 1 hydrogen bond donor(s) and 7 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 12521892?
The CAS number of BAS 12521892 is 872623-52-4.
What is the molecular formula of BAS 12521892?
The molecular formula of BAS 12521892 is C19H25N7O2S.
What is the molecular weight of BAS 12521892?
The molecular weight of BAS 12521892 is 415.18 g/mol.
Where can I buy BAS 12521892?
You can request a quote for BAS 12521892 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12521892?
Yes, KEHONG BIO provides custom synthesis services for BAS 12521892 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.