![2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid structure](/static/products/4463/446306-64-5.webp)
2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid
TL;DR: 2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid (CAS 446306-64-5) is a chemical compound with molecular formula C14H16N2O2S2 and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid
Also Known As: 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid, 2-((5,6,7,8-Tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)butanoic acid, 2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid, 2-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylthio)butanoic acid, 2-(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-ylthio)butanoic acid
| Molecular Formula | C14H16N2O2S2 |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 3.5254 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.0653 |
| Heavy Atoms | 20 |
| Complexity | 653.9065 |
Chemical Identifiers
| CAS Number | 446306-64-5 |
|---|---|
| SMILES | CCC(C(=O)O)SC1=NC=NC2=C1C3=C(S2)CCCC3 |
Product Overview
2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid (CAS 446306-64-5), with molecular formula C14H16N2O2S2 and molecular weight 308.07 g/mol. IUPAC: 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid.
Chemical Property Profile of 2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid
Property Insights of 2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid
The XLogP value of 3.5254 indicates that 2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid. Following Lipinski's Rule of Five, 2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid has 1 hydrogen bond donor(s) and 5 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 2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid?
The CAS number of 2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid is 446306-64-5.
What is the molecular formula of 2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid?
The molecular formula of 2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid is C14H16N2O2S2.
What is the molecular weight of 2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid?
The molecular weight of 2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid is 308.07 g/mol.
Where can I buy 2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid?
You can request a quote for 2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5,6,7,8-Tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.