3-羟基-4-(磺酰氧基)苯乙酸
TL;DR: 3-羟基-4-(磺酰氧基)苯乙酸 (CAS 4816-81-3) is a chemical compound with molecular formula C8H8O7S and molecular weight 248.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羟基-4-(磺酰氧基)苯乙酸
2-(3-hydroxy-4-sulfooxyphenyl)acetic acid
Also Known As: Sulfonyloxydihydroxyphenylacetic acid, 2-(3-hydroxy-4-sulfooxyphenyl)acetic acid, 3,4-dihydroxyphenylacetate sulfate, [3-hydroxy-4-(sulfooxy)phenyl]acetic acid, 3-Hydroxy-4-(sulfooxy)benzeneacetic acid
| Molecular Formula | C8H8O7S |
|---|---|
| Molecular Weight | 248.00 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.99907 |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 4816-81-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC(=O)O)O)OS(=O)(=O)O |
| InChIKey | ZQTJTTSZJNFQGJ-UHFFFAOYSA-N |
Product Overview
3-羟基-4-(磺酰氧基)苯乙酸 (CAS 4816-81-3), with molecular formula C8H8O7S and molecular weight 248.00 g/mol. IUPAC: 2-(3-hydroxy-4-sulfooxyphenyl)acetic acid.
Chemical Property Profile of 3-羟基-4-(磺酰氧基)苯乙酸
Property Insights of 3-羟基-4-(磺酰氧基)苯乙酸
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-羟基-4-(磺酰氧基)苯乙酸. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-羟基-4-(磺酰氧基)苯乙酸. Following Lipinski's Rule of Five, 3-羟基-4-(磺酰氧基)苯乙酸 has 3 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 3-羟基-4-(磺酰氧基)苯乙酸?
The CAS number of 3-羟基-4-(磺酰氧基)苯乙酸 is 4816-81-3.
What is the molecular formula of 3-羟基-4-(磺酰氧基)苯乙酸?
The molecular formula of 3-羟基-4-(磺酰氧基)苯乙酸 is C8H8O7S.
What is the molecular weight of 3-羟基-4-(磺酰氧基)苯乙酸?
The molecular weight of 3-羟基-4-(磺酰氧基)苯乙酸 is 248.00 g/mol.
Where can I buy 3-羟基-4-(磺酰氧基)苯乙酸?
You can request a quote for 3-羟基-4-(磺酰氧基)苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基-4-(磺酰氧基)苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基-4-(磺酰氧基)苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.