InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H
TL;DR: InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H (CAS 96254-08-9) is a chemical compound with molecular formula C6H7NO3S and molecular weight 173.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-4-yl methanesulfonate
Also Known As: 4-methanesulfonoxypyridine, 4-methylsulfonyloxypyridine, pyridin-4-yl methanesulfonate, InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H
| Molecular Formula | C6H7NO3S |
|---|---|
| Molecular Weight | 173.01 g/mol |
| LogP | 0.42 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.01466 |
| Heavy Atoms | 11 |
| Complexity | 318.94046 |
Chemical Identifiers
| CAS Number | 96254-08-9 |
|---|---|
| SMILES | CS(=O)(=O)OC1=CC=NC=C1 |
Product Overview
InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H (CAS 96254-08-9), with molecular formula C6H7NO3S and molecular weight 173.01 g/mol. IUPAC: pyridin-4-yl methanesulfonate.
Chemical Property Profile of InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H
Property Insights of InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H
The XLogP value of 0.42 suggests moderate lipophilicity, balancing water solubility and membrane permeability for InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H. With a topological polar surface area (TPSA) of 56.26 Ų, InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H 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 InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H?
The CAS number of InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H is 96254-08-9.
What is the molecular formula of InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H?
The molecular formula of InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H is C6H7NO3S.
What is the molecular weight of InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H?
The molecular weight of InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H is 173.01 g/mol.
Where can I buy InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H?
You can request a quote for InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H?
Yes, KEHONG BIO provides custom synthesis services for InChI=1/C6H7NO3S/c1-11(8,9)10-6-2-4-7-5-3-6/h2-5H,1H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.