4-Formyl-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate
TL;DR: 4-Formyl-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate (CAS 692261-49-7) is a chemical compound with molecular formula C15H13NO7S and molecular weight 351.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formyl-2-methoxyphenyl) 4-methyl-3-nitrobenzenesulfonate
Also Known As: 4-formyl-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate, 4-formyl-2-methoxyphenyl 4-methyl-3-nitrobenzene-1-sulfonate, (4-formyl-2-methoxyphenyl) 4-methyl-3-nitrobenzenesulfonate, 4-Methyl-3-nitro-benzenesulfonic acid 4-formyl-2-methoxy-phenyl ester, (4-formyl-2-methoxy-phenyl) 4-methyl-3-nitro-benzenesulfonate
| Molecular Formula | C15H13NO7S |
|---|---|
| Molecular Weight | 351.04 g/mol |
| LogP | 2.49202 |
| Topological Polar Surface Area | 112.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.04126 |
| Heavy Atoms | 24 |
| Complexity | 906.03375 |
Chemical Identifiers
| CAS Number | 692261-49-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=O)OC)[N+](=O)[O-] |
Product Overview
4-Formyl-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate (CAS 692261-49-7), with molecular formula C15H13NO7S and molecular weight 351.04 g/mol. IUPAC: (4-formyl-2-methoxyphenyl) 4-methyl-3-nitrobenzenesulfonate.
Chemical Property Profile of 4-Formyl-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate
Property Insights of 4-Formyl-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate
The XLogP value of 2.49202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Formyl-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate. The TPSA of 112.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Formyl-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate. Following Lipinski's Rule of Five, 4-Formyl-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate has 0 hydrogen bond donor(s) and 7 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-Formyl-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate?
The CAS number of 4-Formyl-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate is 692261-49-7.
What is the molecular formula of 4-Formyl-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate?
The molecular formula of 4-Formyl-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate is C15H13NO7S.
What is the molecular weight of 4-Formyl-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate?
The molecular weight of 4-Formyl-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate is 351.04 g/mol.
Where can I buy 4-Formyl-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate?
You can request a quote for 4-Formyl-2-methoxyphenyl 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-Formyl-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Formyl-2-methoxyphenyl 4-methyl-3-nitrobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.