1H-indol-4-yl 2,4-difluorobenzenesulfonate
TL;DR: 1H-indol-4-yl 2,4-difluorobenzenesulfonate (CAS 239080-86-5) is a chemical compound with molecular formula C14H9F2NO3S and molecular weight 309.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-indol-4-yl 2,4-difluorobenzenesulfonate
Also Known As: 1H-indol-4-yl 2,4-difluorobenzenesulfonate, 1H-indol-4-yl 2,4-difluorobenzene-1-sulfonate, benzenesulfonic acid,2,4-difluoro-,1h-indol-4-yl ester
| Molecular Formula | C14H9F2NO3S |
|---|---|
| Molecular Weight | 309.03 g/mol |
| LogP | 3.2138 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.02713 |
| Heavy Atoms | 21 |
| Complexity | 918.8688 |
Chemical Identifiers
| CAS Number | 239080-86-5 |
|---|---|
| SMILES | C1=CC2=C(C=CN2)C(=C1)OS(=O)(=O)C3=C(C=C(C=C3)F)F |
Product Overview
1H-indol-4-yl 2,4-difluorobenzenesulfonate (CAS 239080-86-5), with molecular formula C14H9F2NO3S and molecular weight 309.03 g/mol. IUPAC: 1H-indol-4-yl 2,4-difluorobenzenesulfonate.
Chemical Property Profile of 1H-indol-4-yl 2,4-difluorobenzenesulfonate
Property Insights of 1H-indol-4-yl 2,4-difluorobenzenesulfonate
The XLogP value of 3.2138 indicates that 1H-indol-4-yl 2,4-difluorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.16 Ų, 1H-indol-4-yl 2,4-difluorobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-indol-4-yl 2,4-difluorobenzenesulfonate has 1 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 1H-indol-4-yl 2,4-difluorobenzenesulfonate?
The CAS number of 1H-indol-4-yl 2,4-difluorobenzenesulfonate is 239080-86-5.
What is the molecular formula of 1H-indol-4-yl 2,4-difluorobenzenesulfonate?
The molecular formula of 1H-indol-4-yl 2,4-difluorobenzenesulfonate is C14H9F2NO3S.
What is the molecular weight of 1H-indol-4-yl 2,4-difluorobenzenesulfonate?
The molecular weight of 1H-indol-4-yl 2,4-difluorobenzenesulfonate is 309.03 g/mol.
Where can I buy 1H-indol-4-yl 2,4-difluorobenzenesulfonate?
You can request a quote for 1H-indol-4-yl 2,4-difluorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-indol-4-yl 2,4-difluorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1H-indol-4-yl 2,4-difluorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.