1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt
TL;DR: 1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt (CAS 102601-34-3) is a chemical compound with molecular formula C9H12NO4S- and molecular weight 230.0487 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-3-anilino-2-hydroxypropane-1-sulfonate
Also Known As: CAPSO sodium salt, capso sodium, CAPSO_sodium_salt, (2S)-3-anilino-2-hydroxypropane-1-sulfonate, EC 700-631-8
Technical Specifications
| Molecular Formula | C9H12NO4S- |
| Molecular Weight | 230.0487 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 97.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.0487 Da |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
| SMILES | C1=CC=C(C=C1)NC[C@@H](CS(=O)(=O)[O-])O |
| InChIKey | CLEVULOKVPBHCU-VIFPVBQESA-M |
Chemical Property Profile of 1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt
Property Insights of 1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt. Following Lipinski's Rule of Five, 1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt?
The CAS number of 1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt is 102601-34-3.
What is the molecular formula of 1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt?
The molecular formula of 1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt is C9H12NO4S-.
What is the molecular weight of 1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt?
The molecular weight of 1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt is 230.0487 g/mol.
Where can I buy 1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt?
You can request a quote for 1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt?
Yes, CoreyChem provides custom synthesis services for 1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.