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3-[双(2-羟乙基)氨基]丙磺酸
TL;DR: 3-[双(2-羟乙基)氨基]丙磺酸 (CAS 58431-91-7) is a chemical compound with molecular formula C7H17NO5S and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[双(2-羟乙基)氨基]丙磺酸
3-[bis(2-hydroxyethyl)amino]propane-1-sulfonic acid
Also Known As: 3-[bis(2-hydroxyethyl)amino]propane-1-sulfonic acid, 3-[bis(2-hydroxyethyl)amino]propanesulphonic acid, 3-(Bis(2-hydroxyethyl)amino)propanesulphonic acid, 3-dihydroxyethylammonium-n-propanesulfonate, 1-Propanesulfonic acid,3-[bis(2-hydroxyethyl)amino]-
| Molecular Formula | C7H17NO5S |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | -4.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 227.08275 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 58431-91-7 |
|---|---|
| SMILES | C(CN(CCO)CCO)CS(=O)(=O)O |
| InChIKey | PDFGVCYGRLLUDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[双(2-羟乙基)氨基]丙磺酸 (CAS 58431-91-7), with molecular formula C7H17NO5S and molecular weight 227.08 g/mol. IUPAC: 3-[bis(2-hydroxyethyl)amino]propane-1-sulfonic acid.
Chemical Property Profile of 3-[双(2-羟乙基)氨基]丙磺酸
Property Insights of 3-[双(2-羟乙基)氨基]丙磺酸
The XLogP value of -4.1 indicates that 3-[双(2-羟乙基)氨基]丙磺酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[双(2-羟乙基)氨基]丙磺酸. Following Lipinski's Rule of Five, 3-[双(2-羟乙基)氨基]丙磺酸 has 3 hydrogen bond donor(s) and 6 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-[双(2-羟乙基)氨基]丙磺酸?
The CAS number of 3-[双(2-羟乙基)氨基]丙磺酸 is 58431-91-7.
What is the molecular formula of 3-[双(2-羟乙基)氨基]丙磺酸?
The molecular formula of 3-[双(2-羟乙基)氨基]丙磺酸 is C7H17NO5S.
What is the molecular weight of 3-[双(2-羟乙基)氨基]丙磺酸?
The molecular weight of 3-[双(2-羟乙基)氨基]丙磺酸 is 227.08 g/mol.
Where can I buy 3-[双(2-羟乙基)氨基]丙磺酸?
You can request a quote for 3-[双(2-羟乙基)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-[双(2-羟乙基)氨基]丙磺酸?
Yes, KEHONG BIO provides custom synthesis services for 3-[双(2-羟乙基)氨基]丙磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.