Isoquinolin-4-yl 4-methylbenzenesulfonate
TL;DR: Isoquinolin-4-yl 4-methylbenzenesulfonate (CAS 1532-82-7) is a chemical compound with molecular formula C16H13NO3S and molecular weight 299.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isoquinolin-4-yl 4-methylbenzenesulfonate
Also Known As: isoquinolin-4-yl 4-methylbenzenesulfonate, 4-(4-Methylbenzenesulfonate)-4-isoquinolinol, Isoquinolin-4-yl 4-methylbenzene-1-sulfonate, 4-Methylbenzenesulfonate-4-isoquinolinol (Ester)
| Molecular Formula | C16H13NO3S |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 3.31092 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.0616 |
| Heavy Atoms | 21 |
| Complexity | 881.54895 |
Chemical Identifiers
| CAS Number | 1532-82-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CN=CC3=CC=CC=C32 |
Product Overview
Isoquinolin-4-yl 4-methylbenzenesulfonate (CAS 1532-82-7), with molecular formula C16H13NO3S and molecular weight 299.06 g/mol. IUPAC: isoquinolin-4-yl 4-methylbenzenesulfonate.
Chemical Property Profile of Isoquinolin-4-yl 4-methylbenzenesulfonate
Property Insights of Isoquinolin-4-yl 4-methylbenzenesulfonate
The XLogP value of 3.31092 indicates that Isoquinolin-4-yl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, Isoquinolin-4-yl 4-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolin-4-yl 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 4 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 Isoquinolin-4-yl 4-methylbenzenesulfonate?
The CAS number of Isoquinolin-4-yl 4-methylbenzenesulfonate is 1532-82-7.
What is the molecular formula of Isoquinolin-4-yl 4-methylbenzenesulfonate?
The molecular formula of Isoquinolin-4-yl 4-methylbenzenesulfonate is C16H13NO3S.
What is the molecular weight of Isoquinolin-4-yl 4-methylbenzenesulfonate?
The molecular weight of Isoquinolin-4-yl 4-methylbenzenesulfonate is 299.06 g/mol.
Where can I buy Isoquinolin-4-yl 4-methylbenzenesulfonate?
You can request a quote for Isoquinolin-4-yl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolin-4-yl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolin-4-yl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.