舒林基硫化物
TL;DR: 舒林基硫化物 (CAS 49627-27-2) is a chemical compound with molecular formula C20H17FO2S and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
舒林基硫化物
2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid
Also Known As: Sulindac sulfide, cis-Sulindac sulfide, Z-sulindac sulfide, Sulindac sulphide, (Z)-Sulindac sulfide
| Molecular Formula | C20H17FO2S |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 5.35 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.09332 |
| Heavy Atoms | 24 |
| Complexity | 863.70764 |
Chemical Identifiers
| CAS Number | 49627-27-2 |
|---|---|
| SMILES | CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)SC)C=CC(=C2)F)CC(=O)O |
Product Overview
舒林基硫化物 (CAS 49627-27-2), with molecular formula C20H17FO2S and molecular weight 340.09 g/mol. IUPAC: 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid.
Chemical Property Profile of 舒林基硫化物
Property Insights of 舒林基硫化物
The XLogP value of 5.35 indicates that 舒林基硫化物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 舒林基硫化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 舒林基硫化物 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 舒林基硫化物?
The CAS number of 舒林基硫化物 is 49627-27-2.
What is the molecular formula of 舒林基硫化物?
The molecular formula of 舒林基硫化物 is C20H17FO2S.
What is the molecular weight of 舒林基硫化物?
The molecular weight of 舒林基硫化物 is 340.09 g/mol.
Where can I buy 舒林基硫化物?
You can request a quote for 舒林基硫化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 舒林基硫化物?
Yes, KEHONG BIO provides custom synthesis services for 舒林基硫化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.