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Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]-
TL;DR: Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]- (CAS 2426-60-0) is a chemical compound with molecular formula C14H11NO7S and molecular weight 337.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-formyl-6-methoxy-3-nitrophenyl) benzenesulfonate
Also Known As: Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]-, 2-Formyl-6-methoxy-3-nitrophenyl benzenesulfonate, 2-Hydroxy-6-nitro-m-anisaldehyde Benzenesulfonate, (2-formyl-6-methoxy-3-nitrophenyl) benzenesulfonate, L-1067
| Molecular Formula | C14H11NO7S |
|---|---|
| Molecular Weight | 337.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.02563 |
| Heavy Atoms | 23 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 2426-60-0 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)[N+](=O)[O-])C=O)OS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | GECPWPFXXLLQTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]- (CAS 2426-60-0), with molecular formula C14H11NO7S and molecular weight 337.03 g/mol. IUPAC: (2-formyl-6-methoxy-3-nitrophenyl) benzenesulfonate.
Chemical Property Profile of Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]-
Property Insights of Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]-. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]-. Following Lipinski's Rule of Five, Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]- 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 Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]-?
The CAS number of Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]- is 2426-60-0.
What is the molecular formula of Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]-?
The molecular formula of Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]- is C14H11NO7S.
What is the molecular weight of Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]-?
The molecular weight of Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]- is 337.03 g/mol.
Where can I buy Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]-?
You can request a quote for Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]-?
Yes, KEHONG BIO provides custom synthesis services for Benzaldehyde, 3-methoxy-6-nitro-2-[(phenylsulfonyl)oxy]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.