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 230.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C9H12NO4S- |
|---|---|
| Molecular Weight | 230.05 g/mol |
| LogP | 0.0046 |
| Topological Polar Surface Area | 89.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 230.0487 |
| Heavy Atoms | 15 |
| Complexity | 389.8332 |
Chemical Identifiers
| CAS Number | 102601-34-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC[C@@H](CS(=O)(=O)[O-])O |
Product Overview
1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt (CAS 102601-34-3), with molecular formula C9H12NO4S- and molecular weight 230.05 g/mol. IUPAC: (2S)-3-anilino-2-hydroxypropane-1-sulfonate.
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 0.0046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt. The TPSA of 89.46 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
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 230.05 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-propanesulfonic acid, 3-(cyclohexylamino)-2-hydroxy-, monosodium salt?
Yes, KEHONG BIO 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.