RefChem:446892
TL;DR: RefChem:446892 (CAS 736948-76-8) is a chemical compound with molecular formula C15H12N2O3S2 and molecular weight 332.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid
Also Known As: 2-[({4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]acetic acid, 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid, {[(4-oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]thio}acetic acid, ([(4-Oxo-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]thio)acetic acid, 2-(((4-oxo-5-phenyl-3H,4H-thieno(2,3-d)pyrimidin-2-yl)methyl)sulfanyl)acetic acid
| Molecular Formula | C15H12N2O3S2 |
|---|---|
| Molecular Weight | 332.03 g/mol |
| LogP | 2.9694 |
| Topological Polar Surface Area | 83.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.02893 |
| Heavy Atoms | 22 |
| Complexity | 871.375 |
Chemical Identifiers
| CAS Number | 736948-76-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSCC(=O)O |
Product Overview
RefChem:446892 (CAS 736948-76-8), with molecular formula C15H12N2O3S2 and molecular weight 332.03 g/mol. IUPAC: 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetic acid.
Chemical Property Profile of RefChem:446892
Property Insights of RefChem:446892
The XLogP value of 2.9694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:446892. The TPSA of 83.05 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:446892. Following Lipinski's Rule of Five, RefChem:446892 has 2 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 RefChem:446892?
The CAS number of RefChem:446892 is 736948-76-8.
What is the molecular formula of RefChem:446892?
The molecular formula of RefChem:446892 is C15H12N2O3S2.
What is the molecular weight of RefChem:446892?
The molecular weight of RefChem:446892 is 332.03 g/mol.
Where can I buy RefChem:446892?
You can request a quote for RefChem:446892 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:446892?
Yes, KEHONG BIO provides custom synthesis services for RefChem:446892 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.