BAS 12522053
TL;DR: BAS 12522053 (CAS 876901-36-9) is a chemical compound with molecular formula C18H23N7O2S and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: BAS 12522053, F1889-0576, 3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione, 3-methyl-7-(2-methyl-3-(pyrimidin-2-ylthio)propyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C18H23N7O2S |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | 1.2419 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.1634 |
| Heavy Atoms | 28 |
| Complexity | 1082.9926 |
Chemical Identifiers
| CAS Number | 876901-36-9 |
|---|---|
| SMILES | CC(CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)CSC4=NC=CC=N4 |
Product Overview
BAS 12522053 (CAS 876901-36-9), with molecular formula C18H23N7O2S and molecular weight 401.16 g/mol. IUPAC: 3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of BAS 12522053
Property Insights of BAS 12522053
The XLogP value of 1.2419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12522053. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12522053. Following Lipinski's Rule of Five, BAS 12522053 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 12522053?
The CAS number of BAS 12522053 is 876901-36-9.
What is the molecular formula of BAS 12522053?
The molecular formula of BAS 12522053 is C18H23N7O2S.
What is the molecular weight of BAS 12522053?
The molecular weight of BAS 12522053 is 401.16 g/mol.
Where can I buy BAS 12522053?
You can request a quote for BAS 12522053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12522053?
Yes, KEHONG BIO provides custom synthesis services for BAS 12522053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.