硫化亚铊
TL;DR: 硫化亚铊 (CAS 1314-97-2) is a chemical compound with molecular formula C13H8O3S and molecular weight 244.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫化亚铊
methyl 4-oxoindeno[2,1-b]thiophene-2-carboxylate
Also Known As: Methyl 8-oxo-8H-indeno(2,1-b)thiophene-2-carboxylate, methyl 4-oxoindeno[2,1-b]thiophene-2-carboxylate, NCI60_001031, 3-Phenyl-thiophene-2,5-dicarbonyl dichloride, Methyl 8-oxo-8H-indeno[2,1-b]thiophene-2-carboxylate
| Molecular Formula | C13H8O3S |
|---|---|
| Molecular Weight | 244.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.01941 |
| Heavy Atoms | 17 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 1314-97-2 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(S1)C(=O)C3=CC=CC=C32 |
| InChIKey | CJTMSFGZFMQLIO-UHFFFAOYSA-N |
Product Overview
硫化亚铊 (CAS 1314-97-2), with molecular formula C13H8O3S and molecular weight 244.02 g/mol. IUPAC: methyl 4-oxoindeno[2,1-b]thiophene-2-carboxylate.
Chemical Property Profile of 硫化亚铊
Property Insights of 硫化亚铊
The XLogP value of 3.3 indicates that 硫化亚铊 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫化亚铊. Following Lipinski's Rule of Five, 硫化亚铊 has 0 hydrogen bond donor(s) and 4 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 硫化亚铊?
The CAS number of 硫化亚铊 is 1314-97-2.
What is the molecular formula of 硫化亚铊?
The molecular formula of 硫化亚铊 is C13H8O3S.
What is the molecular weight of 硫化亚铊?
The molecular weight of 硫化亚铊 is 244.02 g/mol.
Where can I buy 硫化亚铊?
You can request a quote for 硫化亚铊 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫化亚铊?
Yes, KEHONG BIO provides custom synthesis services for 硫化亚铊 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.