4-Dechloro-3-chloro indomethacin
TL;DR: 4-Dechloro-3-chloro indomethacin (CAS 807614-94-4) is a chemical compound with molecular formula C13H28O2S2 and molecular weight 280.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonylsulfanyldodecane
Also Known As: Dodecyl Methanethiosulfonate, 1-methylsulfonylsulfanyldodecane, 4-Dechloro-3-chloro indomethacin, Methanesulfonothioic Acid S-Dodecyl Ester, 1-(3-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic Acid; [1-(3-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic Acid; Indomethacin Impurity E
| Molecular Formula | C13H28O2S2 |
|---|---|
| Molecular Weight | 280.15 g/mol |
| LogP | 4.6001 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 280.15308 |
| Heavy Atoms | 17 |
| Complexity | 248.14508 |
Chemical Identifiers
| CAS Number | 807614-94-4 |
|---|---|
| SMILES | CCCCCCCCCCCCSS(=O)(=O)C |
Product Overview
4-Dechloro-3-chloro indomethacin (CAS 807614-94-4), with molecular formula C13H28O2S2 and molecular weight 280.15 g/mol. IUPAC: 1-methylsulfonylsulfanyldodecane.
Chemical Property Profile of 4-Dechloro-3-chloro indomethacin
Property Insights of 4-Dechloro-3-chloro indomethacin
The XLogP value of 4.6001 indicates that 4-Dechloro-3-chloro indomethacin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 4-Dechloro-3-chloro indomethacin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Dechloro-3-chloro indomethacin has 0 hydrogen bond donor(s) and 3 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 4-Dechloro-3-chloro indomethacin?
The CAS number of 4-Dechloro-3-chloro indomethacin is 807614-94-4.
What is the molecular formula of 4-Dechloro-3-chloro indomethacin?
The molecular formula of 4-Dechloro-3-chloro indomethacin is C13H28O2S2.
What is the molecular weight of 4-Dechloro-3-chloro indomethacin?
The molecular weight of 4-Dechloro-3-chloro indomethacin is 280.15 g/mol.
Where can I buy 4-Dechloro-3-chloro indomethacin?
You can request a quote for 4-Dechloro-3-chloro indomethacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Dechloro-3-chloro indomethacin?
Yes, KEHONG BIO provides custom synthesis services for 4-Dechloro-3-chloro indomethacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.