![[(2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic acid structure](/static/products/152/152998-72-6.png)
[(2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic acid
TL;DR: [(2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic acid (CAS 152998-72-6) is a chemical compound with molecular formula C18H16N2O2S2 and molecular weight 356.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid
Also Known As: [(2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic acid|[(2-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid|2-((2-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetic acid|2-[(2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid|2-({5-phenyl-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl}sulfanyl)acetic acid
| Molecular Formula | C18H16N2O2S2 |
|---|---|
| Molecular Weight | 356.07 g/mol |
| LogP | 4.4138 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.0653 |
| Heavy Atoms | 24 |
| Complexity | 906.2728 |
Chemical Identifiers
| CAS Number | 152998-72-6 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N=C3SCC(=O)O)C4=CC=CC=C4 |
Product Overview
[(2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic acid (CAS 152998-72-6), with molecular formula C18H16N2O2S2 and molecular weight 356.07 g/mol. IUPAC: 2-[(2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic acid
Property Insights of [(2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic acid
The XLogP value of 4.4138 indicates that [(2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic 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-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic acid. Following Lipinski's Rule of Five, [(2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic 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-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic acid?
The CAS number of [(2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic acid is 152998-72-6.
What is the molecular formula of [(2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic acid?
The molecular formula of [(2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic acid is C18H16N2O2S2.
What is the molecular weight of [(2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic acid?
The molecular weight of [(2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic acid is 356.07 g/mol.
Where can I buy [(2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic acid?
You can request a quote for [(2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(2-Phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin)-4-ylthio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.