4-(羟甲基)苯磺酸
TL;DR: 4-(羟甲基)苯磺酸 (CAS 122855-96-3) is a chemical compound with molecular formula C7H8O4S and molecular weight 188.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(羟甲基)苯磺酸
4-(hydroxymethyl)benzenesulfonic acid
Also Known As: 4-Sulfobenzyl alcohol, 4-(hydroxymethyl)benzenesulfonic acid, 4-(Hydroxymethyl)benzene-1-sulfonic acid, 4-(Hydroxymethyl)benzenesulfonate, 4-(Hydroxymethyl)benzene-1-sulfonicacid
| Molecular Formula | C7H8O4S |
|---|---|
| Molecular Weight | 188.01 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.01433 |
| Heavy Atoms | 12 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 122855-96-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CO)S(=O)(=O)O |
| InChIKey | VVQVMHASNBSOOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(羟甲基)苯磺酸 (CAS 122855-96-3), with molecular formula C7H8O4S and molecular weight 188.01 g/mol. IUPAC: 4-(hydroxymethyl)benzenesulfonic acid.
Chemical Property Profile of 4-(羟甲基)苯磺酸
Property Insights of 4-(羟甲基)苯磺酸
The XLogP value of -0.2 indicates that 4-(羟甲基)苯磺酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(羟甲基)苯磺酸. Following Lipinski's Rule of Five, 4-(羟甲基)苯磺酸 has 2 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 4-(羟甲基)苯磺酸?
The CAS number of 4-(羟甲基)苯磺酸 is 122855-96-3.
What is the molecular formula of 4-(羟甲基)苯磺酸?
The molecular formula of 4-(羟甲基)苯磺酸 is C7H8O4S.
What is the molecular weight of 4-(羟甲基)苯磺酸?
The molecular weight of 4-(羟甲基)苯磺酸 is 188.01 g/mol.
Where can I buy 4-(羟甲基)苯磺酸?
You can request a quote for 4-(羟甲基)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 4-(羟甲基)苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(羟甲基)苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.