BAS 07401899
TL;DR: BAS 07401899 (CAS 674357-96-1) is a chemical compound with molecular formula C20H27N7O2S and molecular weight 429.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
Also Known As: BAS 07401899, 7-[2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-ethyl]-1,3-dimethyl-8-piperidin-1-yl-3,7-dihydro-purine-2,6-dione, 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione, 7-[2-(4,6-dimethylpyrimidin-2-ylthio)ethyl]-1,3-dimethyl-8-piperidyl-1,3,7-tri hydropurine-2,6-dione, 7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-8-(piperidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C20H27N7O2S |
|---|---|
| Molecular Weight | 429.19 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.1947 |
| Heavy Atoms | 30 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 674357-96-1 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCCN2C3=C(N=C2N4CCCCC4)N(C(=O)N(C3=O)C)C)C |
| InChIKey | QWNVYJYBUQZEPK-UHFFFAOYSA-N |
Product Overview
BAS 07401899 (CAS 674357-96-1), with molecular formula C20H27N7O2S and molecular weight 429.19 g/mol. IUPAC: 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of BAS 07401899
Property Insights of BAS 07401899
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07401899. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07401899. Following Lipinski's Rule of Five, BAS 07401899 has 0 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 07401899?
The CAS number of BAS 07401899 is 674357-96-1.
What is the molecular formula of BAS 07401899?
The molecular formula of BAS 07401899 is C20H27N7O2S.
What is the molecular weight of BAS 07401899?
The molecular weight of BAS 07401899 is 429.19 g/mol.
Where can I buy BAS 07401899?
You can request a quote for BAS 07401899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07401899?
Yes, KEHONG BIO provides custom synthesis services for BAS 07401899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.