5-甲酰基-2-甲氧基苯磺酸
TL;DR: 5-甲酰基-2-甲氧基苯磺酸 (CAS 81349-07-7) is a chemical compound with molecular formula C8H8O5S and molecular weight 216.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-甲酰基-2-甲氧基苯磺酸
5-formyl-2-methoxybenzenesulfonic acid
Also Known As: 4-methoxybenzaldehyde-3-sulfonic acid, 5-formyl-2-methoxybenzenesulfonic acid, Benzenesulfonic acid, 5-formyl-2-methoxy-, 3-Sulfo-4-methoxybenzaldehyde sodium salt
| Molecular Formula | C8H8O5S |
|---|---|
| Molecular Weight | 216.01 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.00925 |
| Heavy Atoms | 14 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 81349-07-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=O)S(=O)(=O)O |
| InChIKey | CXANNMZOMWEXTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-甲酰基-2-甲氧基苯磺酸 (CAS 81349-07-7), with molecular formula C8H8O5S and molecular weight 216.01 g/mol. IUPAC: 5-formyl-2-methoxybenzenesulfonic acid.
Chemical Property Profile of 5-甲酰基-2-甲氧基苯磺酸
Property Insights of 5-甲酰基-2-甲氧基苯磺酸
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-甲酰基-2-甲氧基苯磺酸. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-甲酰基-2-甲氧基苯磺酸. Following Lipinski's Rule of Five, 5-甲酰基-2-甲氧基苯磺酸 has 1 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 5-甲酰基-2-甲氧基苯磺酸?
The CAS number of 5-甲酰基-2-甲氧基苯磺酸 is 81349-07-7.
What is the molecular formula of 5-甲酰基-2-甲氧基苯磺酸?
The molecular formula of 5-甲酰基-2-甲氧基苯磺酸 is C8H8O5S.
What is the molecular weight of 5-甲酰基-2-甲氧基苯磺酸?
The molecular weight of 5-甲酰基-2-甲氧基苯磺酸 is 216.01 g/mol.
Where can I buy 5-甲酰基-2-甲氧基苯磺酸?
You can request a quote for 5-甲酰基-2-甲氧基苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-甲酰基-2-甲氧基苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 5-甲酰基-2-甲氧基苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.