Phenylmethanesulfonic Acid, 4-formylphenyl Ester
TL;DR: Phenylmethanesulfonic Acid, 4-formylphenyl Ester (CAS 62162-76-9) is a chemical compound with molecular formula C14H12O4S and molecular weight 276.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formylphenyl) phenylmethanesulfonate
Also Known As: (4-formylphenyl) phenylmethanesulfonate, 4-formylphenyl phenylmethanesulfonate, Phenylmethanesulfonic Acid, 4-formylphenyl Ester, Benzenemethanesulfonic acid, 4-formylphenyl ester, AL-398/12677102
| Molecular Formula | C14H12O4S |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | 2.4079 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.04562 |
| Heavy Atoms | 19 |
| Complexity | 645.60516 |
Chemical Identifiers
| CAS Number | 62162-76-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)OC2=CC=C(C=C2)C=O |
Product Overview
Phenylmethanesulfonic Acid, 4-formylphenyl Ester (CAS 62162-76-9), with molecular formula C14H12O4S and molecular weight 276.05 g/mol. IUPAC: (4-formylphenyl) phenylmethanesulfonate.
Chemical Property Profile of Phenylmethanesulfonic Acid, 4-formylphenyl Ester
Property Insights of Phenylmethanesulfonic Acid, 4-formylphenyl Ester
The XLogP value of 2.4079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylmethanesulfonic Acid, 4-formylphenyl Ester. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylmethanesulfonic Acid, 4-formylphenyl Ester. Following Lipinski's Rule of Five, Phenylmethanesulfonic Acid, 4-formylphenyl Ester 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 Phenylmethanesulfonic Acid, 4-formylphenyl Ester?
The CAS number of Phenylmethanesulfonic Acid, 4-formylphenyl Ester is 62162-76-9.
What is the molecular formula of Phenylmethanesulfonic Acid, 4-formylphenyl Ester?
The molecular formula of Phenylmethanesulfonic Acid, 4-formylphenyl Ester is C14H12O4S.
What is the molecular weight of Phenylmethanesulfonic Acid, 4-formylphenyl Ester?
The molecular weight of Phenylmethanesulfonic Acid, 4-formylphenyl Ester is 276.05 g/mol.
Where can I buy Phenylmethanesulfonic Acid, 4-formylphenyl Ester?
You can request a quote for Phenylmethanesulfonic Acid, 4-formylphenyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylmethanesulfonic Acid, 4-formylphenyl Ester?
Yes, KEHONG BIO provides custom synthesis services for Phenylmethanesulfonic Acid, 4-formylphenyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.