(苯磺酰基)乙酸
TL;DR: (苯磺酰基)乙酸 (CAS 3959-23-7) is a chemical compound with molecular formula C8H8O4S and molecular weight 200.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(苯磺酰基)乙酸
2-(benzenesulfonyl)acetic acid
Also Known As: (phenylsulfonyl)acetic acid, 2-(phenylsulfonyl)acetic acid, 2-(benzenesulfonyl)acetic acid, aceticacid, Fopirtoline
| Molecular Formula | C8H8O4S |
|---|---|
| Molecular Weight | 200.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.01433 |
| Heavy Atoms | 13 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 3959-23-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC(=O)O |
| InChIKey | YTEFAALYDTWTLB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(苯磺酰基)乙酸 (CAS 3959-23-7), with molecular formula C8H8O4S and molecular weight 200.01 g/mol. IUPAC: 2-(benzenesulfonyl)acetic acid.
Chemical Property Profile of (苯磺酰基)乙酸
Property Insights of (苯磺酰基)乙酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (苯磺酰基)乙酸. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (苯磺酰基)乙酸. Following Lipinski's Rule of Five, (苯磺酰基)乙酸 has 1 hydrogen bond donor(s) and 4 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 (苯磺酰基)乙酸?
The CAS number of (苯磺酰基)乙酸 is 3959-23-7.
What is the molecular formula of (苯磺酰基)乙酸?
The molecular formula of (苯磺酰基)乙酸 is C8H8O4S.
What is the molecular weight of (苯磺酰基)乙酸?
The molecular weight of (苯磺酰基)乙酸 is 200.01 g/mol.
Where can I buy (苯磺酰基)乙酸?
You can request a quote for (苯磺酰基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (苯磺酰基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for (苯磺酰基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.