3-Formylphenyl 4-methylbenzenesulfonate
TL;DR: 3-Formylphenyl 4-methylbenzenesulfonate (CAS 80459-46-7) 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.
(3-formylphenyl) 4-methylbenzenesulfonate
Also Known As: 3-tosyloxybenzaldehyde, 3-formylphenyl 4-methylbenzenesulfonate, 3-formylphenyl 4-methylbenzene-1-sulfonate, (3-formylphenyl) 4-methylbenzenesulfonate, Benzaldehyde, 3-[[(4-methylphenyl)sulfonyl]oxy]-
| Molecular Formula | C14H12O4S |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | 2.57522 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.04562 |
| Heavy Atoms | 19 |
| Complexity | 687.6408 |
Chemical Identifiers
| CAS Number | 80459-46-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=O |
Product Overview
3-Formylphenyl 4-methylbenzenesulfonate (CAS 80459-46-7), with molecular formula C14H12O4S and molecular weight 276.05 g/mol. IUPAC: (3-formylphenyl) 4-methylbenzenesulfonate.
Chemical Property Profile of 3-Formylphenyl 4-methylbenzenesulfonate
Property Insights of 3-Formylphenyl 4-methylbenzenesulfonate
The XLogP value of 2.57522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Formylphenyl 4-methylbenzenesulfonate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Formylphenyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 3-Formylphenyl 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 3-Formylphenyl 4-methylbenzenesulfonate?
The CAS number of 3-Formylphenyl 4-methylbenzenesulfonate is 80459-46-7.
What is the molecular formula of 3-Formylphenyl 4-methylbenzenesulfonate?
The molecular formula of 3-Formylphenyl 4-methylbenzenesulfonate is C14H12O4S.
What is the molecular weight of 3-Formylphenyl 4-methylbenzenesulfonate?
The molecular weight of 3-Formylphenyl 4-methylbenzenesulfonate is 276.05 g/mol.
Where can I buy 3-Formylphenyl 4-methylbenzenesulfonate?
You can request a quote for 3-Formylphenyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Formylphenyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Formylphenyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.