2-thiophen-2-ylsulfanylacetic acid
TL;DR: 2-thiophen-2-ylsulfanylacetic acid (CAS 7400-23-9) is a chemical compound with molecular formula C40H50O4 and molecular weight 594.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-hydroxy-17-[4-(17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)buta-1,3-diynyl]-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 2-thiophen-2-ylsulfanylacetic acid, 17-hydroxy-17-[4-(17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)buta-1,3-diynyl]-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C40H50O4 |
|---|---|
| Molecular Weight | 594.37 g/mol |
| LogP | 6.739 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 594.3709 |
| Heavy Atoms | 44 |
| Complexity | 1352.7076 |
Chemical Identifiers
| CAS Number | 7400-23-9 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2(C#CC#CC4(CCC5C4(CCC6C5CCC7=CC(=O)CCC67)C)O)O)CCC8=CC(=O)CCC38 |
Product Overview
2-thiophen-2-ylsulfanylacetic acid (CAS 7400-23-9), with molecular formula C40H50O4 and molecular weight 594.37 g/mol. IUPAC: 17-hydroxy-17-[4-(17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)buta-1,3-diynyl]-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 2-thiophen-2-ylsulfanylacetic acid
Property Insights of 2-thiophen-2-ylsulfanylacetic acid
The XLogP value of 6.739 indicates that 2-thiophen-2-ylsulfanylacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-thiophen-2-ylsulfanylacetic acid. Following Lipinski's Rule of Five, 2-thiophen-2-ylsulfanylacetic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-thiophen-2-ylsulfanylacetic acid?
The CAS number of 2-thiophen-2-ylsulfanylacetic acid is 7400-23-9.
What is the molecular formula of 2-thiophen-2-ylsulfanylacetic acid?
The molecular formula of 2-thiophen-2-ylsulfanylacetic acid is C40H50O4.
What is the molecular weight of 2-thiophen-2-ylsulfanylacetic acid?
The molecular weight of 2-thiophen-2-ylsulfanylacetic acid is 594.37 g/mol.
Where can I buy 2-thiophen-2-ylsulfanylacetic acid?
You can request a quote for 2-thiophen-2-ylsulfanylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-thiophen-2-ylsulfanylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-thiophen-2-ylsulfanylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.