2-甲酰基-6-甲氧基苯基苯磺酸酯
TL;DR: 2-甲酰基-6-甲氧基苯基苯磺酸酯 (CAS 69257-68-7) is a chemical compound with molecular formula C14H12O5S and molecular weight 292.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲酰基-6-甲氧基苯基苯磺酸酯
(2-formyl-6-methoxyphenyl) benzenesulfonate
Also Known As: o-Vanillin benzenesulfonate, 2-Formyl-6-methoxyphenyl benzenesulfonate, (2-formyl-6-methoxyphenyl) benzenesulfonate, 3-Methoxy-2-[(phenylsulfonyl)oxy]benzaldehyde, Benzaldehyde, 3-methoxy-2-[(phenylsulfonyl)oxy]-
| Molecular Formula | C14H12O5S |
|---|---|
| Molecular Weight | 292.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.04056 |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 69257-68-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1OS(=O)(=O)C2=CC=CC=C2)C=O |
| InChIKey | PYRREPLERCADBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲酰基-6-甲氧基苯基苯磺酸酯 (CAS 69257-68-7), with molecular formula C14H12O5S and molecular weight 292.04 g/mol. IUPAC: (2-formyl-6-methoxyphenyl) benzenesulfonate.
Chemical Property Profile of 2-甲酰基-6-甲氧基苯基苯磺酸酯
Property Insights of 2-甲酰基-6-甲氧基苯基苯磺酸酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲酰基-6-甲氧基苯基苯磺酸酯. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-甲酰基-6-甲氧基苯基苯磺酸酯. Following Lipinski's Rule of Five, 2-甲酰基-6-甲氧基苯基苯磺酸酯 has 0 hydrogen bond donor(s) and 5 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 2-甲酰基-6-甲氧基苯基苯磺酸酯?
The CAS number of 2-甲酰基-6-甲氧基苯基苯磺酸酯 is 69257-68-7.
What is the molecular formula of 2-甲酰基-6-甲氧基苯基苯磺酸酯?
The molecular formula of 2-甲酰基-6-甲氧基苯基苯磺酸酯 is C14H12O5S.
What is the molecular weight of 2-甲酰基-6-甲氧基苯基苯磺酸酯?
The molecular weight of 2-甲酰基-6-甲氧基苯基苯磺酸酯 is 292.04 g/mol.
Where can I buy 2-甲酰基-6-甲氧基苯基苯磺酸酯?
You can request a quote for 2-甲酰基-6-甲氧基苯基苯磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲酰基-6-甲氧基苯基苯磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-甲酰基-6-甲氧基苯基苯磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.