4-Formylphenyl 4-methyl-3-nitrobenzenesulfonate
TL;DR: 4-Formylphenyl 4-methyl-3-nitrobenzenesulfonate (CAS 634592-98-6) is a chemical compound with molecular formula C14H11NO6S and molecular weight 321.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formylphenyl) 4-methyl-3-nitrobenzenesulfonate
Also Known As: 4-formylphenyl 4-methyl-3-nitrobenzenesulfonate, 4-formylphenyl 4-methyl-3-nitrobenzene-1-sulfonate, (4-formylphenyl) 4-methyl-3-nitrobenzenesulfonate, (4-formylphenyl) 4-methyl-3-nitro-benzenesulfonate, 4-FORMYLPHENYL 4-METHYL-3-NITRO-1-BENZENESULFONATE
| Molecular Formula | C14H11NO6S |
|---|---|
| Molecular Weight | 321.03 g/mol |
| LogP | 2.48342 |
| Topological Polar Surface Area | 103.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.0307 |
| Heavy Atoms | 22 |
| Complexity | 826.9116 |
Chemical Identifiers
| CAS Number | 634592-98-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=O)[N+](=O)[O-] |
Product Overview
4-Formylphenyl 4-methyl-3-nitrobenzenesulfonate (CAS 634592-98-6), with molecular formula C14H11NO6S and molecular weight 321.03 g/mol. IUPAC: (4-formylphenyl) 4-methyl-3-nitrobenzenesulfonate.
Chemical Property Profile of 4-Formylphenyl 4-methyl-3-nitrobenzenesulfonate
Property Insights of 4-Formylphenyl 4-methyl-3-nitrobenzenesulfonate
The XLogP value of 2.48342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Formylphenyl 4-methyl-3-nitrobenzenesulfonate. The TPSA of 103.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Formylphenyl 4-methyl-3-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 4-Formylphenyl 4-methyl-3-nitrobenzenesulfonate has 0 hydrogen bond donor(s) and 6 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 4-Formylphenyl 4-methyl-3-nitrobenzenesulfonate?
The CAS number of 4-Formylphenyl 4-methyl-3-nitrobenzenesulfonate is 634592-98-6.
What is the molecular formula of 4-Formylphenyl 4-methyl-3-nitrobenzenesulfonate?
The molecular formula of 4-Formylphenyl 4-methyl-3-nitrobenzenesulfonate is C14H11NO6S.
What is the molecular weight of 4-Formylphenyl 4-methyl-3-nitrobenzenesulfonate?
The molecular weight of 4-Formylphenyl 4-methyl-3-nitrobenzenesulfonate is 321.03 g/mol.
Where can I buy 4-Formylphenyl 4-methyl-3-nitrobenzenesulfonate?
You can request a quote for 4-Formylphenyl 4-methyl-3-nitrobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Formylphenyl 4-methyl-3-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Formylphenyl 4-methyl-3-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.