2-(对甲苯磺酰氧基)乙酸
TL;DR: 2-(对甲苯磺酰氧基)乙酸 (CAS 108179-91-5) is a chemical compound with molecular formula C9H10O5S and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(对甲苯磺酰氧基)乙酸
2-(4-methylphenyl)sulfonyloxyacetic acid
Also Known As: Tosylglycolic Acid, 2-(Tosyloxy)acetic acid, 2-(p-Toluenesulfonyloxy)acetic Acid, Tosylessigsaeure, TosylglycolicAcid
| Molecular Formula | C9H10O5S |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.02489 |
| Heavy Atoms | 15 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 108179-91-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)O |
| InChIKey | NSORSORRXHLKQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(对甲苯磺酰氧基)乙酸 (CAS 108179-91-5), with molecular formula C9H10O5S and molecular weight 230.02 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyloxyacetic acid.
Chemical Property Profile of 2-(对甲苯磺酰氧基)乙酸
Property Insights of 2-(对甲苯磺酰氧基)乙酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(对甲苯磺酰氧基)乙酸. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(对甲苯磺酰氧基)乙酸. Following Lipinski's Rule of Five, 2-(对甲苯磺酰氧基)乙酸 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 2-(对甲苯磺酰氧基)乙酸?
The CAS number of 2-(对甲苯磺酰氧基)乙酸 is 108179-91-5.
What is the molecular formula of 2-(对甲苯磺酰氧基)乙酸?
The molecular formula of 2-(对甲苯磺酰氧基)乙酸 is C9H10O5S.
What is the molecular weight of 2-(对甲苯磺酰氧基)乙酸?
The molecular weight of 2-(对甲苯磺酰氧基)乙酸 is 230.02 g/mol.
Where can I buy 2-(对甲苯磺酰氧基)乙酸?
You can request a quote for 2-(对甲苯磺酰氧基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(对甲苯磺酰氧基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(对甲苯磺酰氧基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.