1H-indol-4-yl 4-methylbenzene-1-sulfonate
TL;DR: 1H-indol-4-yl 4-methylbenzene-1-sulfonate (CAS 239080-85-4) is a chemical compound with molecular formula C15H13NO3S and molecular weight 287.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-indol-4-yl 4-methylbenzenesulfonate
Also Known As: 1H-indol-4-yl 4-methylbenzene-1-sulfonate, 1H-indol-4-yl 4-methylbenzenesulfonate, 4-(4-methylphenyl)sulfonyloxy-1H-indole, 1h-indol-4-ol, 4-methylbenzenesulfonate (ester)
| Molecular Formula | C15H13NO3S |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 3.24402 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0616 |
| Heavy Atoms | 20 |
| Complexity | 848.2158 |
Chemical Identifiers
| CAS Number | 239080-85-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2C=CN3 |
Product Overview
1H-indol-4-yl 4-methylbenzene-1-sulfonate (CAS 239080-85-4), with molecular formula C15H13NO3S and molecular weight 287.06 g/mol. IUPAC: 1H-indol-4-yl 4-methylbenzenesulfonate.
Chemical Property Profile of 1H-indol-4-yl 4-methylbenzene-1-sulfonate
Property Insights of 1H-indol-4-yl 4-methylbenzene-1-sulfonate
The XLogP value of 3.24402 indicates that 1H-indol-4-yl 4-methylbenzene-1-sulfonate 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 4-methylbenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-indol-4-yl 4-methylbenzene-1-sulfonate 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 4-methylbenzene-1-sulfonate?
The CAS number of 1H-indol-4-yl 4-methylbenzene-1-sulfonate is 239080-85-4.
What is the molecular formula of 1H-indol-4-yl 4-methylbenzene-1-sulfonate?
The molecular formula of 1H-indol-4-yl 4-methylbenzene-1-sulfonate is C15H13NO3S.
What is the molecular weight of 1H-indol-4-yl 4-methylbenzene-1-sulfonate?
The molecular weight of 1H-indol-4-yl 4-methylbenzene-1-sulfonate is 287.06 g/mol.
Where can I buy 1H-indol-4-yl 4-methylbenzene-1-sulfonate?
You can request a quote for 1H-indol-4-yl 4-methylbenzene-1-sulfonate 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 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1H-indol-4-yl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.