3-((4-羟基苯基)氨基)丙磺酸
TL;DR: 3-((4-羟基苯基)氨基)丙磺酸 (CAS 52962-42-2) is a chemical compound with molecular formula C9H13NO4S and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-((4-羟基苯基)氨基)丙磺酸
3-(4-hydroxyanilino)propane-1-sulfonic acid
Also Known As: 3-[ amino]propanesulphonicacid, 3-((4-Hydroxyphenyl)amino)propanesulphonic acid, 3-(4-hydroxyanilino)propane-1-sulfonic acid, 3-[(4-hydroxyphenyl)amino]propane-1-sulfonic acid, 3-(4-Hydroxyphenylamino)-1-propanesulfonic acid
| Molecular Formula | C9H13NO4S |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 95.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.05653 |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 52962-42-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NCCCS(=O)(=O)O)O |
| InChIKey | LIUOMZABQMKBFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((4-羟基苯基)氨基)丙磺酸 (CAS 52962-42-2), with molecular formula C9H13NO4S and molecular weight 231.06 g/mol. IUPAC: 3-(4-hydroxyanilino)propane-1-sulfonic acid.
Chemical Property Profile of 3-((4-羟基苯基)氨基)丙磺酸
Property Insights of 3-((4-羟基苯基)氨基)丙磺酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-羟基苯基)氨基)丙磺酸. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-羟基苯基)氨基)丙磺酸. Following Lipinski's Rule of Five, 3-((4-羟基苯基)氨基)丙磺酸 has 3 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 3-((4-羟基苯基)氨基)丙磺酸?
The CAS number of 3-((4-羟基苯基)氨基)丙磺酸 is 52962-42-2.
What is the molecular formula of 3-((4-羟基苯基)氨基)丙磺酸?
The molecular formula of 3-((4-羟基苯基)氨基)丙磺酸 is C9H13NO4S.
What is the molecular weight of 3-((4-羟基苯基)氨基)丙磺酸?
The molecular weight of 3-((4-羟基苯基)氨基)丙磺酸 is 231.06 g/mol.
Where can I buy 3-((4-羟基苯基)氨基)丙磺酸?
You can request a quote for 3-((4-羟基苯基)氨基)丙磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-羟基苯基)氨基)丙磺酸?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-羟基苯基)氨基)丙磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.